SCHEMBL1015969

SCHEMBL1015969

Oc1ccc2nc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.64
ABL1 P00519 3/20 0.52
BCR P11274 3/20 0.52
FAAH O00519 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1013990 0.79 TRPV1 (0.62) TRPV1ABL1BCRFAAHTP53
SCHEMBL4620674 0.78 TRPV1 (1.00) TRPV1ABL1BCRFAAHTP53
Hydrochloric Acid SCHEMBL4622097 0.77 TRPV1 (0.98) TRPV1ABL1BCRFAAHTP53
SCHEMBL1013844 0.76 TRPV1 (0.65) TRPV1ABL1BCRFAAHTP53
SCHEMBL1014056 0.75 TRPV1 (0.72) TRPV1ABL1BCRFAAHTP53
SCHEMBL1012994 0.75 TRPV1 (0.72) TRPV1ABL1BCRFAAHTP53
SCHEMBL15534259 0.75 TRPV1 (0.57) TRPV1ABL1BCRFAAH
Hydrochloric Acid SCHEMBL1012455 0.74 TRPV1 (0.71) TRPV1ABL1BCRFAAHTP53
Hydrochloric Acid SCHEMBL1011887 0.74 TRPV1 (0.71) TRPV1ABL1BCRFAAHTP53
SCHEMBL15534267 0.74 TRPV1 (0.56) TRPV1ABL1BCRFAAHTP53

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-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP claimed