SCHEMBL19960876

SCHEMBL19960876

CN(C(=O)C1CC(=O)N(C2CC2)c2ccccc21)C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRK1 P41145 4/20 0.44
OPRL1 P41146 4/20 0.44
HTR6 P50406 12/20 0.43
NOTUM Q6P988 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL19960459 0.77 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUM
SCHEMBL19953514 0.76 OPRM1 (0.43) OPRM1OPRK1OPRL1NOTUM
SCHEMBL19953535 0.70 OPRM1 (0.39) OPRM1OPRK1OPRL1NOTUM
SCHEMBL4859756 0.64 NPY5R (0.55) NOTUM
SCHEMBL14685832 0.63 NPY5R (0.50)
SCHEMBL2554375 0.63 OPRM1 (0.69) OPRM1OPRK1OPRL1
SCHEMBL5556488 0.61 NPY5R (0.49)
SCHEMBL19953584 0.61 FABP5 (0.43) HTR6
SCHEMBL19953489 0.61 FABP5 (0.43) HTR6
SCHEMBL19953533 0.61 FABP5 (0.43) HTR6

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-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed