SCHEMBL7083795

SCHEMBL7083795

CC(=O)Nc1cc(NC(=O)c2c(-c3ccccc3)cccc2C(F)(F)F)ccc1OCCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SYK P43405 2/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
GRM4 Q14833 3/20 0.38
SMO Q99835 2/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
MGAT2 Q10469 1/20 0.37
HTT P42858 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
SCHEMBL7083798 0.86 GRM4 (0.44) HTR2AHTR2CHTR2BS1PR1LMNA
SCHEMBL7085554 0.84 FFAR4 (0.45) HTR2AHTR2CHTR2BS1PR1S1PR3
SCHEMBL6789334 0.83 SMO (0.56) SMO
SCHEMBL6504077 0.79 SMO (0.48) SYKSMOHTT
SCHEMBL7079551 0.76 HTR2C (0.46) HTR2AHTR2CHTR2BSCN5ASCN9A
SCHEMBL7083793 0.75 HTT (0.39) SYKAURKBINCENPPOLBLMNA
SCHEMBL6795346 0.71 SMO (0.59) SMO
SCHEMBL7084419 0.70 MAPT (0.50) POLBLMNASMO
SCHEMBL6666719 0.70 HTR2C (0.47) HTR2AHTR2CHTR2BLMNASMO
SCHEMBL6789743 0.70 SMO (0.58) SMO

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