SCHEMBL6236413

SCHEMBL6236413

CC[C@H](c1ccccc1)N1CCC1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
KDM4E B2RXH2 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
AGTR2 P50052 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6234263 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL2770397 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL7067220 0.88 KDM4E (0.54) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL7065791 0.87 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL7067172 0.87 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL5685782 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL5685787 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL5686078 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL7107188 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL7068092 0.86 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201653-B1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL CO (JP) 2005-04-20 EP disclosed
EP-0957089-B1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
EP-1201653-A1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-6166224-A Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-26 US disclosed
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 EP disclosed