SCHEMBL7085366

SCHEMBL7085366

CC(Cc1ccccn1)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.53
TRPV1 Q8NER1 2/20 0.47
MTTP P55157 10/20 0.44
APOB P04114 8/20 0.44
KCNMA1 Q12791 1/20 0.43
P2RX1 P51575 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
SCHEMBL6804166 0.86 SMO (0.61) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6798429 0.85 SMO (0.57) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6809184 0.84 SMO (0.56) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6800605 0.81 SMO (0.53) SMOTRPV1MTTPAPOBP2RX1
SCHEMBL6792614 0.80 SMO (0.55) SMOTRPV1MTTPAPOBP2RX1
SCHEMBL6803739 0.79 SMO (0.48) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6800375 0.78 SMO (0.51) SMOTRPV1MTTPAPOBP2RX1
SCHEMBL6800369 0.78 SMO (0.51) SMOTRPV1MTTPAPOBP2RX1
SCHEMBL6641215 0.78 SMO (0.50) SMOTRPV1MTTPAPOBKCNMA1
SCHEMBL6805325 0.78 KCNMA1 (0.51) TRPV1MTTPAPOBKCNMA1P2RX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed