SCHEMBL4779880

SCHEMBL4779880

OC(CNc1ccnc(Cl)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.49
CYP2D6 P10635 1/20 0.42
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL4727781 0.85 FAAH (0.56) FAAH
SCHEMBL4729308 0.83 FAAH (0.46) FAAHCYP2D6
SCHEMBL14292081 0.82 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4847869 0.82 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4726854 0.82 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL14292652 0.82 STK17A (0.50) FAAH
SCHEMBL14292795 0.80 AURKA (0.52) FAAH
SCHEMBL14292066 0.79 AURKA (0.55) FAAHCYP2D6
SCHEMBL14292650 0.79 AURKA (0.52) FAAH
SCHEMBL3429809 0.78 FAAH (0.62) FAAHCYP2D6

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
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed