SCHEMBL6968947

SCHEMBL6968947

O=C(Nc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1Cl)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
APOB P04114 4/20 0.40
MTTP P55157 4/20 0.40
NOD1 Q9Y239 3/20 0.40
TNF P01375 2/20 0.40
NOD2 Q9HC29 2/20 0.40
FPR2 P25090 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
ACACB O00763 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
SCHEMBL6973828 0.89 UBE2M (0.45) ABCB1APOBMTTPNOD1TNF
SCHEMBL6974835 0.88 ABCB1 (0.48) ABCB1APOBMTTPNOD1TNF
SCHEMBL6973499 0.85 SMO (0.45) ABCB1APOBMTTPNOD1TNF
SCHEMBL6974444 0.84 KDM4E (0.44) ABCB1APOBMTTPNOD1TNF
SCHEMBL6964489 0.83 SMO (0.50) APOBMTTP
SCHEMBL6965865 0.83 APOB (0.41) ABCB1APOBMTTPNOD1TNF
SCHEMBL6974667 0.83 MEN1 (0.49) ABCB1APOBMTTP
SCHEMBL6964486 0.83 PLAU (0.46) APOBMTTP
SCHEMBL6974687 0.82 ABCB1 (0.41) ABCB1APOBMTTPNOD1TNF
SCHEMBL6967435 0.82 APOB (0.41) ABCB1APOBMTTPNOD1TNF

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