SCHEMBL21765703

SCHEMBL21765703

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2D6 P10635 7/20 0.43
CYP3A4 P08684 6/20 0.43
TSHR P16473 4/20 0.43
OPRL1 P41146 1/20 0.43
HIF1A Q16665 2/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 2/20 0.42
USP2 O75604 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21765702 0.92 OPRM1 (0.53) OPRM1ALDH1A1MAPK1CYP2C19CYP2D6
SCHEMBL15998890 0.86 OPRM1 (0.51) OPRM1ALDH1A1OPRL1USP2
SCHEMBL25703446 0.86 ALDH1A1 (0.53) OPRM1ALDH1A1MAPK1CYP2C19CYP2D6
SCHEMBL617485 0.85 OPRM1 (0.51) OPRM1ALDH1A1MAPK1CYP2C19CYP2D6
SCHEMBL15998880 0.84 OPRM1 (0.46) OPRM1ALDH1A1CYP2C19CYP2D6CYP3A4
SCHEMBL13131126 0.83 HSD11B1 (0.51) OPRM1ALDH1A1CYP2C19CYP2D6CYP3A4
SCHEMBL22030233 0.81 ALDH1A1 (0.42) OPRM1ALDH1A1MAPK1CYP2C19CYP2D6
SCHEMBL26854735 0.80 OPRM1 (0.46) OPRM1ALDH1A1TSHROPRL1HSD17B10
SCHEMBL22802557 0.80 ALDH1A1 (0.59) OPRM1ALDH1A1OPRL1
SCHEMBL26832959 0.80 ALDH1A1 (0.49) OPRM1ALDH1A1MAPK1CYP2C19CYP2D6

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