SCHEMBL13685642

SCHEMBL13685642

Cc1cc(C(C)NC(=O)C2CC2(C)c2ccc(OC(F)(F)F)cc2)ccc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.37
ADRB3 P13945 1/20 0.36
GPR139 Q6DWJ6 2/20 0.35
KIF11 P52732 1/20 0.35
ACACB O00763 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL13500684 1.00 PDE2A (0.37) PDE2AADRB3GPR139KIF11ACACB
SCHEMBL1473416 1.00 PDE2A (0.37) PDE2AADRB3GPR139KIF11ACACB
SCHEMBL13685075 0.95 TRPV1 (0.35) PDE2AADRB3GPR139TRPV1
SCHEMBL1473099 0.91 TRPV1 (0.37) PDE2AADRB3GPR139KIF11ACACB
SCHEMBL1473728 0.91 TRPV1 (0.37) PDE2AADRB3GPR139KIF11ACACB
SCHEMBL1474231 0.90 KDM4E (0.36) PDE2AADRB3GPR139ACACBTRPV1
SCHEMBL1474213 0.89 TRPV1 (0.39) KIF11TRPV1
SCHEMBL13685635 0.89 TRPV1 (0.39) KIF11TRPV1
SCHEMBL12747970 0.89 TRPV1 (0.39) KIF11TRPV1
SCHEMBL1473733 0.89 TRPV1 (0.39) KIF11TRPV1

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