SCHEMBL8234445

SCHEMBL8234445

Nc1cc(F)cc(CF)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
MAOB P27338 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
AGXT P21549 1/20 0.30

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
SCHEMBL12728253 0.84 ALDH1A1 (0.33) MAOB
SCHEMBL2125498 0.81 IDO1 (0.48) IDO1TAAR1AGXT
SCHEMBL27722325 0.80 LOXL2 (0.44) IDO1MAOBTAAR1AGXT
SCHEMBL15275552 0.78 IDO1 (0.38) IDO1MAOBTAAR1
SCHEMBL15598280 0.78 IDO1 (0.38) IDO1MAOBTAAR1
SCHEMBL25077209 0.78 IDO1 (0.38) IDO1MAOBTAAR1
SCHEMBL17064613 0.78 CYP4F2 (0.44) IDO1MAOBTAAR1
SCHEMBL25808892 0.76 TAAR1 (0.52) IDO1MAOBTAAR1
SCHEMBL30644671 0.76 TAAR1 (0.52) IDO1MAOBTAAR1
SCHEMBL25707543 0.75 IDO1 (0.35) IDO1TAAR1

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-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed