SCHEMBL4780125

SCHEMBL4780125

OC(CNc1ccnc(Cl)n1)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.51
CYP2D6 P10635 1/20 0.44
CCNT1 O60563 1/20 0.38
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A3 Q01959 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
SCHEMBL4725654 0.85 FAAH (0.49) FAAHCYP2D6
SCHEMBL4727781 0.84 FAAH (0.56) FAAH
SCHEMBL4847869 0.84 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4726854 0.84 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL14292081 0.84 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4838019 0.82 STK17A (0.49) FAAH
SCHEMBL4727972 0.82 AOC3 (0.54) FAAHCYP2D6
SCHEMBL14292048 0.81 AURKA (0.49) FAAH
SCHEMBL14292784 0.81 CDK2 (0.48) FAAHCCNT1
SCHEMBL14292468 0.80 MAPK8 (0.51) 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