SCHEMBL1899248

SCHEMBL1899248

COc1c(C#N)cccc1C#Cc1ccc(C2(N(C(=O)O)C(C)(C)C)CCC2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
PTGES O14684 1/20 0.30
OPRM1 P35372 2/20 0.30
OPRL1 P41146 2/20 0.30

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
SCHEMBL2028947 0.81 GRM5 (0.37) FFAR1OPRM1OPRL1
SCHEMBL1352509 0.79 OPRL1 (0.39) DAGLAOPRM1OPRL1
SCHEMBL1907283 0.78 VNN1 (0.34) FFAR1OPRM1OPRL1
SCHEMBL2030849 0.77 OPRL1 (0.38) OPRM1OPRL1
SCHEMBL1908467 0.77 CYP1A2 (0.37) FFAR1PTGESOPRM1OPRL1
SCHEMBL2508530 0.74 OPRL1 (0.42) OPRM1OPRL1
SCHEMBL1900539 0.74 ACACB (0.30)
SCHEMBL1900125 0.72 CTSL (0.32) OPRM1OPRL1
SCHEMBL1352136 0.71 CCR2 (0.43) OPRM1
SCHEMBL1903372 0.70 OPRM1 (0.30) 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