SCHEMBL7086836

SCHEMBL7086836

O=C(Cc1ccncn1)Nc1ccc(NC(=O)c2c(-c3ccccc3)cccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.47
TRPV1 Q8NER1 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MPL P40238 3/20 0.40
RORC P51449 2/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ATR Q13535 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
CTPS1 P17812 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 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
SCHEMBL7086840 0.84 ALDH1A1 (0.44) TYK2TRPV1LMNAHTTALDH1A1
SCHEMBL7086824 0.82 LMNA (0.48) TYK2TRPV1LMNAHTTALDH1A1
SCHEMBL6791612 0.80 ALDH1A1 (0.52) TRPV1LMNAHTTALDH1A1CHRNB2
SCHEMBL27631122 0.76 EPHX2 (0.53) LMNAHTTALDH1A1
SCHEMBL7086831 0.76 CHRNB2 (0.43) LMNAHTTALDH1A1CHRNB2CHRNB4
SCHEMBL7085554 0.74 FFAR4 (0.45) TYK2TRPV1LMNAHTTS1PR1
SCHEMBL6681703 0.72 S1PR1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6666719 0.70 HTR2C (0.47) LMNA
SCHEMBL3513120 0.70 TYK2 (0.81) TYK2TRPV1HTTALDH1A1
SCHEMBL6792281 0.68 SMO (0.62) TRPV1LMNAHTTALDH1A1

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