SCHEMBL4010751

SCHEMBL4010751

O=C(O)c1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.85
AKR1C3 P42330 9/20 0.49
AKR1C1 Q04828 2/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL4013756 0.92 FAAH (0.81) FAAHAKR1C3
SCHEMBL3941135 0.92 FAAH (1.00) FAAHAKR1C3AKR1C1
SCHEMBL4009971 0.92 FAAH (0.82) FAAHAKR1C3AKR1C1AKR1C2
SCHEMBL3936263 0.91 FAAH (0.90) FAAH
SCHEMBL3942437 0.90 FAAH (0.88) FAAH
SCHEMBL3933960 0.89 FAAH (0.86) FAAH
SCHEMBL3941586 0.89 FAAH (0.86) FAAH
SCHEMBL3933839 0.89 FAAH (0.86) FAAH
SCHEMBL3930701 0.89 FAAH (0.86) FAAH
SCHEMBL3941343 0.89 FAAH (0.86) FAAH

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