SCHEMBL6974436

SCHEMBL6974436

O=C(Nc1ccc2c(c1)CCN(C(=O)Cc1ccc(F)cc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTTP P55157 10/20 0.53
APOB P04114 9/20 0.53
SMO Q99835 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TMPRSS2 O15393 1/20 0.44

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
SCHEMBL6974831 0.87 TMPRSS2 (0.42) MTTPAPOBNPC1RAB9ATMPRSS2
SCHEMBL6969388 0.86 MTTP (0.51) MTTPAPOBSMOKDM4EGAA
SCHEMBL6975568 0.85 MTTP (0.51) MTTPAPOBSMOKDM4EGAA
SCHEMBL6966884 0.85 APOB (0.61) MTTPAPOBSMOKDM4EGAA
SCHEMBL6965797 0.85 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL7626403 0.84 MTTP (0.54) MTTPAPOBSMOKDM4EGAA
SCHEMBL6973387 0.84 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL6973467 0.83 MTTP (0.55) MTTPAPOBSMOKDM4EGAA
SCHEMBL6973765 0.83 APOB (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL6963061 0.83 MTTP (0.63) MTTPAPOBSMO

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-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP claimed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP claimed