SCHEMBL15826397

SCHEMBL15826397

O=C(O)[C@H]1CC[C@](O)(c2nccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.47
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SYK P43405 8/20 0.38
CYP2C19 P33261 1/20 0.37
CCR2 P41597 3/20 0.37
KCNH2 Q12809 1/20 0.37
CCRL2 O00421 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL15826398 1.00 OPRL1 (0.47) OPRL1KDM4CKDM4ESYKCYP2C19
SCHEMBL2500932 1.00 OPRL1 (0.47) OPRL1KDM4CKDM4ESYKCYP2C19
SCHEMBL15821361 0.88 OPRL1 (0.40) OPRL1KDM4CKDM4ESYKCYP2C19
SCHEMBL15823793 0.79 SYK (0.44) OPRL1KDM4ESYKCYP2C19
SCHEMBL15823795 0.79 SYK (0.44) OPRL1KDM4ESYKCYP2C19
SCHEMBL15823794 0.79 SYK (0.44) OPRL1KDM4ESYKCYP2C19
SCHEMBL2038699 0.79 SYK (0.42) OPRL1SYKCCR2KCNH2CCRL2
SCHEMBL17151565 0.79 OPRL1 (0.47) OPRL1CYP2C19CCR2KCNH2CCRL2
SCHEMBL12632466 0.77 SYK (0.47) SYK
SCHEMBL12194315 0.77 SYK (0.47) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934525-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014100314-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed