SCHEMBL6013404

SCHEMBL6013404

CC1(C)CCC2(CNC(=O)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6382916 0.89 SMN1; SMN2 (0.42) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL16190003 0.80
SCHEMBL8348053 0.79 SMN1; SMN2 (0.48) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL4289914 0.75 SMN1; SMN2 (0.50) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL4956385 0.72 OPRM1 (0.49) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL2522078 0.72 OPRM1 (0.47) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL17925986 0.72
SCHEMBL248285 0.71
SCHEMBL8552663 0.70 SMN1; SMN2 (0.52) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2
SCHEMBL31580458 0.70 OPRM1 (0.42) SMN1; SMN2OPRM1OPRL1CYP11B1CYP11B2

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
US-7122678-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2006-10-17 US disclosed