SCHEMBL6974345

SCHEMBL6974345

O=C(Nc1ccc2c(c1)CCN(C(=O)CC1=CCCC1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTTP P55157 9/20 0.40
APOB P04114 7/20 0.40
PAX8 Q06710 4/20 0.39
NAMPT P43490 1/20 0.38
TMPRSS2 O15393 2/20 0.37
FPR2 P25090 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 0.87 TMPRSS2 (0.42) MTTPAPOBPAX8NAMPTTMPRSS2
SCHEMBL6975568 0.87 MTTP (0.51) MTTPAPOB
SCHEMBL6963054 0.85 PAX8 (0.41) MTTPAPOBPAX8NAMPTTMPRSS2
SCHEMBL6970162 0.85 NAMPT (0.47) MTTPAPOBPAX8NAMPT
SCHEMBL6974662 0.84 EPHX2 (0.45) MTTPAPOBPAX8NAMPT
SCHEMBL6963818 0.84 APOB (0.42) MTTPAPOBPAX8NAMPTTMPRSS2
SCHEMBL6966377 0.84 APOB (0.44) MTTPAPOBPAX8NAMPT
SCHEMBL6972481 0.84 NAMPT (0.42) MTTPAPOBPAX8NAMPTTMPRSS2
SCHEMBL6969471 0.83 KEAP1 (0.44) MTTPAPOBNAMPTTMPRSS2FPR2
SCHEMBL6962755 0.82 APOB (0.42) MTTPAPOBPAX8NAMPTTMPRSS2

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