SCHEMBL7079809

SCHEMBL7079809

NC(Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1)C(=O)Nc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
TRPV1 Q8NER1 2/20 0.43
CIT O14578 2/20 0.43
SMO Q99835 1/20 0.41
LRRK2 Q5S007 2/20 0.41
KDR P35968 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6793585 0.90 SMO (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TRPV1
SCHEMBL6793812 0.80 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4TRPV1
SCHEMBL7086952 0.78 PLG (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ITGB1
SCHEMBL7087226 0.78 SMO (0.49) TRPV1SMOLRRK2KDREGLN1
SCHEMBL7079790 0.76 S1PR1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ITGB1
SCHEMBL6793989 0.75 TRPV1 (0.48) TRPV1SMOEGLN1ALDH1A1
SCHEMBL6795013 0.75 SMO (0.46) CHRNB2CHRNB4CHRNA3CHRNA4TRPV1
SCHEMBL6792746 0.75 PTGS1 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL9602121 0.74 ANPEP (0.58) CITMEN1ALDH1A1HTTKMT2A
SCHEMBL9590000 0.74 ANPEP (0.58) CITMEN1ALDH1A1HTTKMT2A

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