SCHEMBL21765702

SCHEMBL21765702

CCC(=O)N1CCC2(CCN(C(=O)CC)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
ALDH1A1 P00352 4/20 0.50
OPRL1 P41146 3/20 0.42
HSD11B1 P28845 2/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA7 P36544 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL25703446 0.94 ALDH1A1 (0.53) OPRM1ALDH1A1OPRL1CHRNB2CHRNA3
SCHEMBL15998890 0.94 OPRM1 (0.51) OPRM1ALDH1A1OPRL1HSD11B1CHRNB2
SCHEMBL21765703 0.92 OPRM1 (0.47) OPRM1ALDH1A1OPRL1CYP2D6CYP2C19
SCHEMBL617485 0.92 OPRM1 (0.51) OPRM1ALDH1A1OPRL1HSD11B1CYP2D6
SCHEMBL15998880 0.91 OPRM1 (0.46) OPRM1ALDH1A1OPRL1HSD11B1CYP2D6
SCHEMBL13131126 0.90 HSD11B1 (0.51) OPRM1ALDH1A1OPRL1HSD11B1CYP2D6
SCHEMBL26854735 0.87 OPRM1 (0.46) OPRM1ALDH1A1OPRL1HSD11B1CHRNB2
SCHEMBL22802557 0.86 ALDH1A1 (0.59) OPRM1ALDH1A1OPRL1CHRNB2CHRNA3
SCHEMBL16589307 0.86 OPRM1 (0.43) OPRM1ALDH1A1OPRL1CYP2D6CYP2C19
SCHEMBL25876408 0.86 ALDH1A1 (0.50) OPRM1ALDH1A1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed