SCHEMBL102337

SCHEMBL102337

c1ccc2c(c1)[N]CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNN4 O15554 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL935200 0.87 ITGB2 (0.46) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL454003 0.76
SCHEMBL10353507 0.76 ITGB2 (0.54) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL18874763 0.76 ITGB2 (0.54) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL2122521 0.72 CYP11B1 (0.35) ITGB2ICAM1ITGAL
SCHEMBL2514744 0.72 ITGB2 (0.44) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL2119154 0.72 CYP11B1 (0.35) ITGB2ICAM1ITGAL
SCHEMBL7475893 0.71 PKM (0.47) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL19518260 0.70 ITGB2 (0.46) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL10353815 0.69 ITGB2 (0.45) ITGB2ICAM1ITGALLMNASMN1; SMN2

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 3284 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 WO claimed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN claimed
WO-2024130344-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO claimed
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO claimed
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
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP claimed
CN-118005569-A 6-Aminoquinoxaline compound and preparation method and application thereof 华南理工大学 2024-05-10 CN claimed
EP-4041733-B1 DERIVATIVES HAVING 2,3-DIHYDRO-1H-INDENE OR 2,3-DIHYDROBENZOFURAN MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-05-08 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed
EP-0978279-A1 Inhibitors of human glycogen phosphorylase Pfizer Products Inc. (US) 2000-02-09 EP claimed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US claimed
EP-0846464-A2 Use of glycogen phosphorylase inhibitor for reducing non-cardiac tissue damage resulting from ischemia PFIZER INC. (US) 1998-06-10 EP claimed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP claimed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US claimed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO claimed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP claimed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US 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