SCHEMBL1014056

SCHEMBL1014056

CNc1ccc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.72
ABL1 P00519 10/20 0.61
BCR P11274 10/20 0.61
TNNI3K Q59H18 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
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
Hydrochloric Acid SCHEMBL1012455 0.99 TRPV1 (0.71) TRPV1ABL1BCRTNNI3KMEN1
SCHEMBL1013045 0.86 TRPV1 (0.72) TRPV1ABL1BCRFAAH
SCHEMBL1012994 0.86 TRPV1 (0.72) TRPV1ABL1BCRTP53FAAH
SCHEMBL1012547 0.86 TRPV1 (0.72) TRPV1ABL1BCRFAAH
SCHEMBL1014073 0.86 TRPV1 (0.69) TRPV1ABL1BCRMEN1USP2
Hydrochloric Acid SCHEMBL1011887 0.85 TRPV1 (0.71) TRPV1ABL1BCRTP53FAAH
SCHEMBL13868105 0.84 TRPV1 (1.00) TRPV1ABL1BCRFAAH
SCHEMBL14108293 0.84 TRPV1 (0.69) TRPV1ABL1BCRFAAH
SCHEMBL5799067 0.82 TRPV1 (0.63) TRPV1ABL1BCRTNNI3KMEN1
SCHEMBL16894166 0.81 ABL1 (0.61) TRPV1ABL1BCRCYP1A2CYP3A4

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