SCHEMBL13685686

SCHEMBL13685686

Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2)ccc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
TRPV1 Q8NER1 2/20 0.39
IKBKB O14920 4/20 0.38
JAK2 O60674 4/20 0.38
ROCK2 O75116 4/20 0.38
JAK3 P52333 4/20 0.38
ROCK1 Q13464 4/20 0.38
TYK2 P29597 3/20 0.38
JAK1 P23458 2/20 0.38
CYP3A4 P08684 3/20 0.37
NAMPT P43490 2/20 0.37

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
SCHEMBL1473696 1.00 CHRNA7 (0.47) CHRNA7TRPV1IKBKBJAK2ROCK2
SCHEMBL1474300 0.90 CHRNA7 (0.47) CHRNA7TRPV1
SCHEMBL1474093 0.86 CHRNA7 (0.46) CHRNA7TRPV1
SCHEMBL27699470 0.84 CHRNA7 (0.41) CHRNA7IKBKBJAK2ROCK2JAK3
SCHEMBL1473593 0.83 CHRNA7 (0.38) CHRNA7TRPV1
SCHEMBL1473756 0.82 CHRNA7 (0.41) CHRNA7TRPV1
SCHEMBL12747866 0.82 CHRNA7 (0.42) CHRNA7TRPV1
SCHEMBL1474131 0.82 CHRNA7 (0.42) CHRNA7TRPV1
SCHEMBL13622421 0.82 CHRNA7 (0.42) CHRNA7TRPV1
SCHEMBL1473592 0.82 KCNH2 (0.48) 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
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed