SCHEMBL7083793

SCHEMBL7083793

CC(=O)Nc1cc(N(C(=O)c2ccccc2-c2ccccc2)C(F)(F)F)ccc1OCCc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 2/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
TACR1 P25103 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK14 Q16539 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMO Q99835 1/20 0.34
MGAT2 Q10469 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL6789334 0.77 SMO (0.56) CYP1A2CYP2C9CYP2C19SMOKDM4E
SCHEMBL7085043 0.75 LMNA (0.45) HTTLMNATACR1CYP1A2CYP2C19
SCHEMBL7083795 0.75 HTR2A (0.42) HTTLMNASYKAURKBINCENP
SCHEMBL7083954 0.75 LMNA (0.43) HTTLMNASYKAURKBINCENP
SCHEMBL7085682 0.74 SMN1; SMN2 (0.46) HTTLMNASYKAURKBINCENP
SCHEMBL7083798 0.73 GRM4 (0.44) HTTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL6504077 0.70 SMO (0.48) HTTSYKCYP1A2CYP2C9CYP2C19
SCHEMBL7080553 0.68 CHRNB2 (0.44) LMNATACR1CHRNB2CHRNB4CHRNA3
SCHEMBL7083816 0.67 LMNA (0.48) HTTLMNACYP1A2CHRNB2CHRNB4
SCHEMBL6795346 0.66 SMO (0.59) 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