SCHEMBL7085682

SCHEMBL7085682

O=C(CCc1ccccn1)c1ccc(N(C(=O)c2ccccc2-c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 4/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
TACR1 P25103 2/20 0.36
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7085043 0.85 LMNA (0.45) SMN1; SMN2CYP1A2CYP2C19LMNAHTT
SCHEMBL7083954 0.82 LMNA (0.43) SMN1; SMN2CYP1A2CYP2C19LMNAHTT
SCHEMBL7083793 0.74 HTT (0.39) CYP1A2CYP2C19LMNAHTTCHRNB2
SCHEMBL6788349 0.73 SMO (0.59) LMNAHTTALDH1A1SMO
SCHEMBL28456749 0.72 SMN1; SMN2 (0.81) SMN1; SMN2CYP1A2CYP2C19LMNAKMT2A
SCHEMBL7083816 0.69 LMNA (0.48) SMN1; SMN2CYP1A2LMNAHTTKMT2A
SCHEMBL7086831 0.69 CHRNB2 (0.43) SMN1; SMN2CYP1A2CYP2C19LMNAHTT
Hydrochloric Acid SCHEMBL9701760 0.69 RAB9A (0.70) SMN1; SMN2CYP1A2CYP2C19LMNAHTT
SCHEMBL7080553 0.68 CHRNB2 (0.44) LMNAKMT2AMEN1RAB9ACHRNB2
SCHEMBL7085677 0.68 LMNA (0.45) SMN1; SMN2CYP1A2CYP2C19LMNARAB9A

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