SCHEMBL8010243

SCHEMBL8010243

Cc1ccc(Sc2cn(C3CC3)nc2-c2ccc(C3CC3C(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.69
FFAR4 Q5NUL3 5/20 0.45
FFAR1 O14842 4/20 0.45
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12552197 0.90 FAAH (0.85) FAAHFFAR4FFAR1
SCHEMBL12552211 0.83 FAAH (0.84) FAAH
SCHEMBL12552204 0.82 FAAH (1.00) FAAH
SCHEMBL8001324 0.79 FAAH (0.75) FAAH
SCHEMBL12552296 0.77 FAAH (0.65) FAAHFFAR1CYP2C9
SCHEMBL12552214 0.76 FAAH (0.74) FAAH
SCHEMBL8002496 0.74 FAAH (0.47) FAAHFFAR4
SCHEMBL12552301 0.73 FAAH (0.71) FAAH
SCHEMBL12646402 0.72 FFAR1 (0.73) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4209116 0.71 FFAR1 (0.81) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4

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