SCHEMBL6972481

SCHEMBL6972481

O=C(Nc1ccc2c(c1)CCN(C(=O)Cc1ccsc1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
APOB P04114 6/20 0.40
MTTP P55157 5/20 0.40
PAX8 Q06710 4/20 0.38
TMPRSS2 O15393 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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 0.89 TMPRSS2 (0.42) NAMPTAPOBMTTPPAX8TMPRSS2
SCHEMBL6963054 0.88 PAX8 (0.41) NAMPTAPOBMTTPPAX8TMPRSS2
SCHEMBL6974687 0.88 ABCB1 (0.41) APOBMTTPNPC1KMT2A
SCHEMBL6970162 0.84 NAMPT (0.47) NAMPTAPOBMTTPPAX8
SCHEMBL6974345 0.84 MTTP (0.40) NAMPTAPOBMTTPPAX8TMPRSS2
SCHEMBL6974662 0.84 EPHX2 (0.45) NAMPTAPOBMTTPPAX8
SCHEMBL6963818 0.84 APOB (0.42) NAMPTAPOBMTTPPAX8TMPRSS2
SCHEMBL6966377 0.84 APOB (0.44) NAMPTAPOBMTTPPAX8
SCHEMBL6962755 0.82 APOB (0.42) NAMPTAPOBMTTPPAX8TMPRSS2
SCHEMBL8472959 0.81 ABCB1 (0.39) NAMPTMTTPNPC1KMT2A

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