SCHEMBL1900125

SCHEMBL1900125

C#Cc1ccc(C2(N(C(=O)O)C(C)(C)C)CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CYP2C9 P11712 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL1352509 0.86 OPRL1 (0.39) CYP2C9OPRM1OPRL1
SCHEMBL2028947 0.85 GRM5 (0.37) OPRM1OPRL1
SCHEMBL2030849 0.83 OPRL1 (0.38) CYP2C9OPRM1OPRL1
SCHEMBL2189905 0.81 ALDH1A1 (0.36) OPRM1OPRL1
SCHEMBL1352136 0.81 CCR2 (0.43) CYP2C9OPRM1
SCHEMBL2032267 0.81 OPRM1 (0.37) OPRM1OPRL1
SCHEMBL2508530 0.80 OPRL1 (0.42) CYP2C9OPRM1OPRL1
SCHEMBL2052341 0.79 OPRM1 (0.32) OPRM1OPRL1
SCHEMBL2025987 0.78 CCR2 (0.43) OPRM1OPRL1
SCHEMBL2030574 0.78 CES2 (0.42) OPRM1OPRL1

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed