SCHEMBL4017908

SCHEMBL4017908

COc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.72
AKR1C3 P42330 2/20 0.47
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
APEX1 P27695 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL3942242 0.91 FAAH (0.77) FAAHAKR1C3MAPTCYP3A4CYP2C19
SCHEMBL4015887 0.90 FAAH (0.76) FAAHAKR1C3MAPT
SCHEMBL3939610 0.89 FAAH (0.74) FAAHAKR1C3MAPTCYP3A4CYP2C19
SCHEMBL4014297 0.89 FAAH (0.76) FAAHAKR1C3SMN1; SMN2
SCHEMBL4018971 0.89 FAAH (0.76) FAAHMAPTCYP3A4
SCHEMBL4018033 0.88 FAAH (0.65) FAAHAKR1C3PPARGPPARDPPARA
SCHEMBL4010751 0.86 FAAH (0.85) FAAHAKR1C3
SCHEMBL3941303 0.86 FAAH (0.82) FAAH
SCHEMBL3929062 0.85 FAAH (0.75) FAAHSMN1; SMN2
SCHEMBL3941343 0.85 FAAH (0.86) FAAHMAPTSMN1; SMN2NPSR1

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed