SCHEMBL6667139

SCHEMBL6667139

CC1Cc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2N1CCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.52
MTTP P55157 12/20 0.46
APOB P04114 12/20 0.46
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41

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
SCHEMBL6799538 0.92 SMO (0.63) SMOMTTPAPOB
SCHEMBL6664137 0.87 SMO (0.53) SMOMTTPAPOB
SCHEMBL6666524 0.84 SMO (0.51) SMOMTTPAPOBS1PR1S1PR3
SCHEMBL6642755 0.82 SMO (0.49) SMOMTTPAPOB
SCHEMBL6666013 0.81 SMO (0.51) SMOMTTPAPOBS1PR1S1PR3
SCHEMBL6669784 0.80 SMO (0.53) SMOMTTPAPOB
SCHEMBL6664848 0.79 HTR2A (0.53) SMOMTTPAPOB
SCHEMBL6804749 0.79 SMO (0.64) SMOMTTPAPOB
SCHEMBL6639642 0.78 SMO (0.45) SMOMTTPAPOBS1PR1S1PR3
SCHEMBL27778651 0.77 APOB (0.54) SMOMTTPAPOBS1PR1S1PR3

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed