SCHEMBL6665795

SCHEMBL6665795

O=C(Nc1ccc2c(c1)CCN2Cc1nc[nH]n1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOB P04114 11/20 0.44
MTTP P55157 11/20 0.44
SMO Q99835 1/20 0.40
KDR P35968 1/20 0.39
ALOX5 P09917 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6805186 0.91 MTTP (0.49) APOBMTTPSMOMAPTKDM4E
SCHEMBL6669784 0.86 SMO (0.53) APOBMTTPSMOHTR2AHTR2C
SCHEMBL6666524 0.81 SMO (0.51) APOBMTTPSMOHTR2AHTR2C
SCHEMBL6663893 0.80 APOB (0.45) APOBMTTPSMOKDRALOX5
SCHEMBL6666569 0.80 SMO (0.44) APOBMTTPSMOKDRHTR2A
SCHEMBL6667492 0.79 NOTUM (0.60) APOBMTTPHTR2AHTR2CMAPT
SCHEMBL690395 0.78 MTTP (0.51) APOBMTTPSMOKDRMAPT
SCHEMBL6664413 0.77 HTR2A (0.42) APOBMTTPSMOHTR2AHTR2C
SCHEMBL6804857 0.77 SMO (0.64) APOBMTTPSMOHTR2AHTR2C
SCHEMBL6809752 0.77 MTTP (0.48) APOBMTTPSMOMAPTKDM4E

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed