SCHEMBL2053631

SCHEMBL2053631

OC1(c2nccs2)COC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.44
CNR2 P34972 5/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31
AURKA O14965 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL1355838 0.82 OPRL1 (0.40) OPRL1CNR2BACE1ALDH1A1
SCHEMBL1356638 0.78 OPRL1 (0.53) OPRL1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL12133618 0.76 CNR2 (0.39) OPRL1CNR2BACE1ALDH1A1TSHR
SCHEMBL2640731 0.76 OPRL1 (0.44) OPRL1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL2042478 0.76 OPRL1 (0.51) OPRL1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL2640915 0.76 ALDH1A1 (0.38) OPRL1CNR2BACE1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL14152305 0.74 ALDH1A1 (0.37) OPRL1CNR2BACE1ALDH1A1TSHR
SCHEMBL2640857 0.73 OPRL1 (0.46) OPRL1BACE1ALDH1A1TSHRNOS1
SCHEMBL743084 0.73 OPRL1 (0.46) OPRL1ALDH1A1
SCHEMBL28088924 0.73 CNR2 (0.38) OPRL1CNR2BACE1ALDH1A1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP claimed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 WO claimed
CN-121586713-A Quinoline derivatives and pharmaceutical compositions thereof for the treatment of diseases 百济神州(苏州)生物科技有限公司 2026-02-27 CN disclosed
WO-2025021217-A1 QUINOLINE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE SWITZERLAND GMBH (CH) 2025-01-30 WO disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed