SCHEMBL5198549

SCHEMBL5198549

c1cnc2cc3c[nH]nc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 5/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
CASP6 P55212 1/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
CASP1 P29466 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CASP7 P55210 1/20 0.44
NR4A2 P43354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
Hydrochloric Acid SCHEMBL10819124 0.98 PDGFRB (0.49) PDGFRBPDGFRAALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL11071908 0.98 PDGFRB (0.49) PDGFRBPDGFRAALDH1A1NPC1POLB
Methyl Alcohol SCHEMBL10773137 0.95 PDGFRB (0.50) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL29350099 0.81 NPC1 (0.65) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL150476 0.81 NPC1 (0.65) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL842549 0.79 CHRNB4 (0.31)
SCHEMBL13156520 0.77 NPC1 (0.60) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL12532559 0.77 NPC1 (0.60) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL13156510 0.77 NPC1 (0.60) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL18700662 0.77 NPC1 (0.60) PDGFRBPDGFRAALDH1A1NPC1POLB

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

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280530-A1 TREATMENT OF FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2003-02-05 EP claimed
WO-2002083141-A1 TREATMENT OF FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2002-10-24 WO claimed
WO-2001087308-A1 TREATMENT OF FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2001-11-22 WO claimed
EP-0250179-A2 BCD tricyclic ergoline part-structure analogues ELI LILLY AND COMPANY (US) 1987-12-23 EP claimed
EP-0111990-B1 HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1987-10-07 EP claimed
EP-0013787-B1 OCTAHYDRO PYRAZOLO (3,4-G)QUINOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1984-05-02 EP claimed
EP-1841752-A1 3,4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-10-10 EP disclosed
EP-1740610-A2 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-01-10 EP disclosed
WO-2006077487-A1 3,4-DIHYDRO-2-NAPHTHAMIDE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-27 WO disclosed
EP-1683790-A1 3,4-dihydro-2-naphthamide derivatives as selective dopamine D3 ligands INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-26 EP disclosed
WO-2005105839-A2 ESSENTIAL TREMOR DIAGNOSTIC AND TREATMENT INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-11-10 WO disclosed
EP-1591455-A1 Essential tremor diagnostic and treatment INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-11-02 EP disclosed
EP-1280530-A1 TREATMENT OF FIBROMYALGIA AND CHRONIC FATIGUE SYNDROME PHARMACIA & UPJOHN COMPANY (US) 2003-02-05 EP disclosed
US-4367231-A PARKINSON*S SYNDROME ELI LILLY AND COMPANY (US) 1983-01-04 US disclosed
US-4367231-A PARKINSON*S SYNDROME ELI LILLY AND COMPANY (US) 1983-01-04 US disclosed
EP-0050881-A1 Octahydro quinoline derivatives ELI LILLY AND COMPANY (US) 1982-05-05 EP disclosed
US-4230861-A DOPAMINE ANTAGONISTS ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
EP-0013787-A1 Octahydro pyrazolo (3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1980-08-06 EP disclosed
US-4198415-A Prolactin inhibiting octahydro pyrazolo[3,4-g]quinolines ELI LILLY AND COMPANY (US) 1980-04-15 US disclosed
US-4198415-A Prolactin inhibiting octahydro pyrazolo[3,4-g]quinolines ELI LILLY AND COMPANY (US) 1980-04-15 US disclosed