SCHEMBL4977786

SCHEMBL4977786

Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
TRPV1 Q8NER1 1/20 0.47
GRM5 P41594 1/20 0.43
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
XPO1 O14980 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4971195 0.90 MEN1 (0.53) MAPT
SCHEMBL402353 0.89 MAPT (0.52) NPY1RNPY2RTRPV1MAPT
SCHEMBL4975360 0.87 CYP2C9 (0.56)
SCHEMBL4970118 0.84 MEN1 (0.52) MAPT
SCHEMBL4968684 0.81 ALDH1A1 (0.44) NPY1RNPY2RTRPV1MAPT
SCHEMBL17075551 0.80 PTGS1 (0.48) NPY1RNPY2RTRPV1MAPT
SCHEMBL4970534 0.80 SMO (0.50) NPY1RNPY2RTRPV1
SCHEMBL402272 0.80 MAPT (0.67) MAPT
SCHEMBL404320 0.77 MAPT (0.54) GRM5MAPT
SCHEMBL4972665 0.77 KCNQ3 (0.66) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed