SCHEMBL6965865

SCHEMBL6965865

O=C(Nc1ccc2c(c1)CCN(Cc1ccc[nH]1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOB P04114 10/20 0.41
MTTP P55157 9/20 0.41
ABCB1 P08183 1/20 0.38
TNF P01375 2/20 0.37
NOD2 Q9HC29 2/20 0.37
NOD1 Q9Y239 2/20 0.37
ACACB O00763 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMO Q99835 1/20 0.37
POLB P06746 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
SCHEMBL6974835 0.88 ABCB1 (0.48) APOBMTTPABCB1TNFNOD2
SCHEMBL6966580 0.87 SCN9A (0.43) APOBMTTPABCB1JAK2JAK3
SCHEMBL6973499 0.86 SMO (0.45) APOBMTTPABCB1TNFNOD2
SCHEMBL6967435 0.85 APOB (0.41) APOBMTTPABCB1TNFNOD2
SCHEMBL6974444 0.85 KDM4E (0.44) APOBMTTPABCB1TNFNOD2
SCHEMBL6974667 0.84 MEN1 (0.49) APOBMTTPABCB1GAAMAPT
SCHEMBL6964489 0.84 SMO (0.50) APOBMTTPSMO
SCHEMBL6974297 0.84 CACNA1G (0.51) APOBMTTPJAK2JAK3PTK2
SCHEMBL6677620 0.84 APOB (0.41) APOBMTTPABCB1TNFNOD2
SCHEMBL6964486 0.84 PLAU (0.46) APOBMTTPGAAMAPTJAK2

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