SCHEMBL8004561

SCHEMBL8004561

Cc1ncc(-c2nn(-c3cncc(F)c3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.51
KCNH2 Q12809 3/20 0.51
ELOVL1 Q9BW60 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTGS2 P35354 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1962386 0.87 FAAH (0.48) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL12552087 0.84 FAAH (0.61) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1962427 0.83 FAAH (0.47) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1535397 0.82 FAAH (0.64) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1961073 0.82 FAAH (0.50) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1959648 0.78 FAAH (0.50) FAAHKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1963411 0.78 FAAH (0.49) FAAHKCNH2ELOVL1RXFP1ICAM1
SCHEMBL1961329 0.77 FAAH (0.49) FAAHKCNH2ELOVL1CYP2C9RXFP1
SCHEMBL8002415 0.76 FAAH (0.42) FAAHKCNH2ELOVL1PTGS2ICAM1
SCHEMBL12551943 0.76 FAAH (0.54) FAAHKCNH2ELOVL1CYP3A4ICAM1

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