SCHEMBL6974831

SCHEMBL6974831

O=C(Nc1ccc2c(c1)CCN(C(=O)Cc1ccc(F)cc1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.42
MOGAT2 Q3SYC2 1/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 1/20 0.42
APOB P04114 5/20 0.41
MTTP P55157 4/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PAX8 Q06710 4/20 0.40
RAB9A P51151 2/20 0.40
NAMPT P43490 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL6972481 0.89 NAMPT (0.42) TMPRSS2NPC1KMT2AAPOBMTTP
SCHEMBL6963054 0.88 PAX8 (0.41) TMPRSS2APOBMTTPPAX8NAMPT
SCHEMBL6970162 0.87 NAMPT (0.47) APOBMTTPPAX8NAMPT
SCHEMBL6974436 0.87 MTTP (0.53) TMPRSS2NPC1APOBMTTPRAB9A
SCHEMBL6974345 0.87 MTTP (0.40) TMPRSS2APOBMTTPPAX8NAMPT
SCHEMBL6963818 0.86 APOB (0.42) TMPRSS2APOBMTTPPAX8NAMPT
SCHEMBL6966377 0.86 APOB (0.44) APOBMTTPPAX8NAMPT
SCHEMBL6974662 0.86 EPHX2 (0.45) APOBMTTPPAX8NAMPT
SCHEMBL6962755 0.84 APOB (0.42) TMPRSS2APOBMTTPABCB1PAX8
SCHEMBL6969471 0.83 KEAP1 (0.44) TMPRSS2APOBMTTPNAMPT

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 1 patent. 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