SCHEMBL6669306

SCHEMBL6669306

Cc1ccc(C)n1-c1nccc(CC(=O)N2CCc3cc(NC(=O)c4cc(C(F)(F)F)ccc4-c4ccccc4)ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40
MTTP P55157 7/20 0.39
APOB P04114 2/20 0.39
SMO Q99835 1/20 0.39
RIPK1 Q13546 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
SORT1 Q99523 1/20 0.37
SYK P43405 1/20 0.37
TRIM24 O15164 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6804557 0.92 SMO (0.47) MTTPAPOBSMOSMN1; SMN2KDM4E
SCHEMBL6666513 0.89 MTTP (0.40) HTR2AHTR2CHTR2BMTTPAPOB
SCHEMBL6665477 0.89 CYP11B1 (0.38) SMORIPK1NPC1TP53MAPT
SCHEMBL6667572 0.88 HTR2A (0.43) HTR2AHTR2CHTR2BMTTPAPOB
SCHEMBL6804782 0.86 MAPT (0.43) SMORIPK1NPC1TP53MAPT
SCHEMBL6664848 0.85 HTR2A (0.53) HTR2AHTR2CHTR2BMTTPAPOB
SCHEMBL6804333 0.84 KLK7 (0.39) SMORIPK1NPC1TP53MAPT
SCHEMBL6666805 0.84 CASP3 (0.43) HTR2AHTR2CHTR2BMTTPAPOB
SCHEMBL6665118 0.84 RIPK1 (0.43) HTR2AHTR2CHTR2BMTTPAPOB
Hydrochloric Acid SCHEMBL6666545 0.83 RIPK1 (0.43) HTR2AHTR2CHTR2BMTTPAPOB

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