SCHEMBL8103415

SCHEMBL8103415

CC(C)(C)OC(=O)N1CCC(n2c(=O)n(CC(=O)O)c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.53
OPRM1 P35372 9/20 0.53
GPR119 Q8TDV5 1/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
STS P08842 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL27194855 0.88 C5AR1 (0.59) GPR119CACNA1GCACNA1HSTS
SCHEMBL8111309 0.88 ALDH1A1 (0.57) OPRL1OPRM1KDM4E
SCHEMBL8063089 0.87 OPRM1 (0.50) OPRL1OPRM1GPR119CACNA1GCACNA1H
SCHEMBL7596262 0.86 OPRM1 (0.49) OPRL1OPRM1GPR119CACNA1GCACNA1H
SCHEMBL14518248 0.86 OPRL1 (0.47) OPRL1OPRM1GPR119CACNA1GCACNA1H
SCHEMBL12357647 0.86 GPR119 (0.46) OPRM1GPR119STSKDM4EPKM
SCHEMBL2248124 0.86 GPR119 (0.46) OPRM1GPR119STSKDM4EPKM
SCHEMBL3098947 0.85 CYP2D6 (0.57) OPRL1OPRM1GPR119CACNA1GCACNA1H
SCHEMBL4717854 0.85 OPRL1 (0.47) OPRL1OPRM1GPR119CACNA1GCACNA1H
SCHEMBL24709345 0.85 CACNA1G (0.66) OPRL1OPRM1GPR119CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 EP disclosed
US-5817756-A USING A MODIFIED DI- OR TRI-PEPTIDES SCIOS INC. (US) 1998-10-06 US disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed