SCHEMBL6033641

SCHEMBL6033641

Cc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1-c1ccc2cccnc2n1.Cc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2cccnc2n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.54
MAPK3 P27361 1/20 0.50

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
SCHEMBL6033649 0.95 TRPV1 (0.54) TRPV1MAPK3
SCHEMBL6033545 0.92 TRPV1 (0.61) TRPV1
SCHEMBL5809097 0.81 TRPV1 (0.57) TRPV1
SCHEMBL5801087 0.80 TRPV1 (0.56) TRPV1
SCHEMBL5808575 0.78 TRPV1 (0.47) TRPV1MAPK3
SCHEMBL6033610 0.77 TRPV1 (0.60) TRPV1MAPK3
SCHEMBL6033564 0.77 TRPV1 (0.48) TRPV1MAPK3
SCHEMBL5799338 0.76 TRPV1 (0.46) TRPV1MAPK3
SCHEMBL27700950 0.75 TRPV1 (0.39) TRPV1MAPK3
SCHEMBL5814291 0.74 TRPV1 (0.50) 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-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed