SCHEMBL1012547

SCHEMBL1012547

Nc1ccc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2n1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.72
ABL1 P00519 10/20 0.61
BCR P11274 10/20 0.61
EGFR P00533 1/20 0.44
BACE1 P56817 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL1013045 0.89 TRPV1 (0.72) TRPV1ABL1BCRFAAH
SCHEMBL1014056 0.86 TRPV1 (0.72) TRPV1ABL1BCRFAAH
SCHEMBL1012994 0.86 TRPV1 (0.72) TRPV1ABL1BCRFAAH
Hydrochloric Acid SCHEMBL1012455 0.85 TRPV1 (0.71) TRPV1ABL1BCRFAAH
Hydrochloric Acid SCHEMBL1011887 0.85 TRPV1 (0.71) TRPV1ABL1BCRFAAH
SCHEMBL13868105 0.84 TRPV1 (1.00) TRPV1ABL1BCRFAAH
SCHEMBL1014073 0.84 TRPV1 (0.69) TRPV1ABL1BCR
SCHEMBL14108293 0.84 TRPV1 (0.69) TRPV1ABL1BCRFAAH
SCHEMBL1013803 0.81 TRPV1 (0.75) TRPV1ABL1BCRFAAH
SCHEMBL13868111 0.81 TRPV1 (0.65) TRPV1ABL1BCRFAAH

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 5 patents. 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
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed