SCHEMBL6033052

SCHEMBL6033052

Cc1c(Nc2ccc(C(F)(F)F)cn2)nc(OCC(F)(F)F)nc1-c1ccc2cccnc2c1.Cc1c(Nc2ccc(C(F)(F)F)cn2)ncnc1-c1ccc2c(O)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.49
MAPK3 P27361 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
SCHEMBL5813051 0.88 TRPV1 (0.50) TRPV1
SCHEMBL5801218 0.85 TRPV1 (0.58) TRPV1MAPK3
SCHEMBL6033610 0.83 TRPV1 (0.60) TRPV1MAPK3
SCHEMBL5800142 0.76 TRPV1 (0.50) TRPV1
SCHEMBL6033663 0.76 TRPV1 (0.55) TRPV1
SCHEMBL5809165 0.76 TRPV1 (0.64) TRPV1MAPK3
SCHEMBL6033069 0.75 TRPV1 (0.67) TRPV1
SCHEMBL6033575 0.74 TRPV1 (0.57) TRPV1
SCHEMBL6473551 0.74 TRPV1 (0.49) TRPV1
SCHEMBL6478367 0.73 TRPV1 (0.58) TRPV1MAPK3

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