SCHEMBL8002415

SCHEMBL8002415

Cc1ccc(Sc2cn(-c3cncc(F)c3)nc2-c2ccc(C(N)=O)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
ICAM1 P05362 4/20 0.40
SELE P16581 4/20 0.40
KCNH2 Q12809 3/20 0.40
VCAM1 P19320 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPK14 Q16539 2/20 0.34
CHEK2 O96017 1/20 0.33
LGALS3 P17931 2/20 0.33
PTGS2 P35354 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
ELOVL1 Q9BW60 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL1961073 0.91 FAAH (0.50) FAAHICAM1SELEKCNH2CA12
SCHEMBL8004561 0.76 FAAH (0.51) FAAHICAM1SELEKCNH2PTGS2
SCHEMBL12552087 0.74 FAAH (0.61) FAAHKCNH2CA12CA1CA2
SCHEMBL1961329 0.74 FAAH (0.49) FAAHICAM1SELEKCNH2VCAM1
SCHEMBL1962427 0.72 FAAH (0.47) FAAHKCNH2MEN1KMT2APTGS2
SCHEMBL1961326 0.71 ICAM1 (0.41) FAAHICAM1SELEKCNH2VCAM1
SCHEMBL12551943 0.71 FAAH (0.54) FAAHICAM1SELEKCNH2MEN1
SCHEMBL1964025 0.71 FAAH (0.51) FAAHICAM1SELEKCNH2VCAM1
SCHEMBL8008300 0.70 FAAH (0.39) FAAHKCNH2MEN1KMT2A
SCHEMBL1962386 0.70 FAAH (0.48) FAAHKCNH2MEN1KMT2APTGS2

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-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed