SCHEMBL1476869

SCHEMBL1476869

Cc1cc([C@@H](C)NC(=O)C2CC2c2ccc(C(C)(C)C)cc2-c2ccncc2)ccc1[AsH]S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.38
ROCK2 O75116 7/20 0.34
PRKG1 Q13976 5/20 0.34
ROCK1 Q13464 5/20 0.34
RPS6KA5 O75582 2/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 2/20 0.34
MAPK1 P28482 2/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
RPS6KA3 P51812 2/20 0.34
PRKX P51817 2/20 0.34
PRKCD Q05655 2/20 0.34
PRKG2 Q13237 2/20 0.34
PKN2 Q16513 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
HIPK4 Q8NE63 2/20 0.34

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
SCHEMBL27699505 0.87 TRPV1 (0.38) CHRNA7ROCK2PRKG1ROCK1TRPV1
SCHEMBL1474347 0.87 TRPV1 (0.38) CHRNA7ROCK2PRKG1ROCK1TRPV1
SCHEMBL13685589 0.72 TRPV1 (0.42) TRPV1
SCHEMBL1474682 0.72 TRPV1 (0.42) TRPV1
SCHEMBL1476574 0.72 KIF11 (0.41) GSK3AGSK3BTRPV1CYP2C9
SCHEMBL13838875 0.72 ROCK1 (0.39) CHRNA7ROCK2PRKG1ROCK1RPS6KA5
SCHEMBL1476302 0.70 TRPV1 (0.34) TRPV1
SCHEMBL1474412 0.70 TRPV1 (0.40) CHRNA7TRPV1
SCHEMBL1474093 0.68 CHRNA7 (0.46) CHRNA7TRPV1
SCHEMBL1473593 0.66 CHRNA7 (0.38) CHRNA7TRPV1

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
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US claimed