SCHEMBL16610091

SCHEMBL16610091

Cc1ccc(F)c2c(C(=O)NC3CCCCC3)cn(Cc3ccc(-c4cnn(C)c4)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CNR2 P34972 8/20 0.49
CHRM1 P11229 6/20 0.49
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
USP30 Q70CQ3 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL16597400 0.92 CHRM1 (0.49) CHRM1USP30
SCHEMBL16597442 0.90 CHRM1 (0.48) CNR1CNR2CHRM1USP30
SCHEMBL17924373 0.89 CHRM1 (0.62) CHRM1
SCHEMBL16610090 0.89 CHRM1 (0.54) CHRM1USP30
SCHEMBL16597530 0.85 CHRM1 (0.51) CHRM1USP30
SCHEMBL16610400 0.85 CHRM1 (0.52) CNR1CNR2CHRM1AURKAAURKB
SCHEMBL21362263 0.84 CHRM1 (0.60) CNR1CNR2CHRM1
SCHEMBL16597380 0.83 CHRM1 (0.49) CHRM1USP30
SCHEMBL16597584 0.83 CHRM1 (0.64) CHRM1AURKAAURKB
SCHEMBL16597382 0.81 CHRM1 (0.47) CNR1CNR2CHRM1USP30

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-2015044072-A1 INDOL AND INDAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 WO disclosed