SCHEMBL6639486

SCHEMBL6639486

NC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1cccc2ccncc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.37
NAMPT P43490 4/20 0.36
NR1H4 Q96RI1 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDK1 Q15118 1/20 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
SCHEMBL5658073 0.81 TRPV1 (0.41) TRPV1HDAC6
SCHEMBL5659882 0.80 TRPV1 (0.41) TRPV1GPBAR1
SCHEMBL6622382 0.80 TRPV1 (0.47) TRPV1NR1H4KCNH2HDAC6
SCHEMBL5411314 0.78 TRPV1 (0.53) TRPV1
SCHEMBL6637455 0.75 TRPV1 (0.45) TRPV1HDAC6
SCHEMBL27642770 0.73 TRPV1 (0.46) TRPV1GPBAR1
SCHEMBL27663669 0.73 TRPV1 (0.44) TRPV1GPBAR1TRPM8
SCHEMBL6623343 0.73 CYP3A4 (0.40) TRPV1GPBAR1TRPM8
SCHEMBL5399647 0.73 TRPV1 (0.57) TRPV1GPBAR1KCNH2
SCHEMBL27642822 0.73 TRPV1 (0.42) TRPV1

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-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 WO disclosed