SCHEMBL5568

SCHEMBL5568

c1ccc2c(c1)[N]CCN2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 3/20 0.34
ADRA2A P08913 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
NFKB1 P19838 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL796124 0.87 NISCH (0.41) NISCHMEN1ALDH1A1GAAKMT2A
SCHEMBL20308 0.76
SCHEMBL7490287 0.74 NISCH (0.35) NISCHGAAADRA2AADRA2BADRA2C
SCHEMBL7490290 0.74 NISCH (0.39) NISCHADRA2AADRA2BADRA2C
SCHEMBL519701 0.71 PARP1 (0.48) NISCH
SCHEMBL519700 0.71 NOS2 (0.39) NISCHMEN1ALDH1A1GAAKMT2A
SCHEMBL516862 0.70 NISCH (0.36) NISCHADRA2ACYP1A2ADRA2BADRA2C
SCHEMBL902843 0.70 NISCH (0.36) NISCHMEN1ALDH1A1GAAKMT2A
SCHEMBL11217656 0.70 MEN1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL123812 0.68 GAA (0.54) MEN1ALDH1A1GAAKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3934 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN claimed
CN-117624169-A 5-HT of the type 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2024-03-01 CN claimed
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO claimed
WO-2023227080-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-11-30 WO claimed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN claimed
WO-2023192960-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-10-05 WO claimed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP claimed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 US claimed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO claimed
EP-4126847-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO Pharma (FR) 2023-02-08 EP claimed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP claimed
EP-0587194-A1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP claimed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US claimed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP claimed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP claimed
EP-0120589-B1 IMIDAZO-HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP claimed
US-4698352-A 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1987-10-06 US claimed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-0120589-A1 Imidazo-heterocyclic compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 EP claimed