SCHEMBL6973828

SCHEMBL6973828

O=C(Nc1ccc2c(c1)CCN(Cc1cccc(Cl)c1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
ABCB1 P08183 3/20 0.42
NOD1 Q9Y239 4/20 0.42
TNF P01375 3/20 0.42
NOD2 Q9HC29 3/20 0.42
ACACB O00763 1/20 0.42
APOB P04114 3/20 0.42
MTTP P55157 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
NPC1 O15118 1/20 0.40

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 0.94 ABCB1 (0.48) ABCB1NOD1TNFNOD2ACACB
SCHEMBL6968947 0.89 ABCB1 (0.40) DCUN1D1ABCB1NOD1TNFNOD2
SCHEMBL6967730 0.88 ABCB1 (0.44) ABCB1NOD1TNFNOD2APOB
SCHEMBL6974687 0.86 ABCB1 (0.41) ABCB1NOD1TNFNOD2ACACB
SCHEMBL6973499 0.86 SMO (0.45) ABCB1NOD1TNFNOD2ACACB
SCHEMBL6974444 0.84 KDM4E (0.44) ABCB1NOD1TNFNOD2ACACB
SCHEMBL6965865 0.84 APOB (0.41) ABCB1NOD1TNFNOD2ACACB
SCHEMBL6974667 0.84 MEN1 (0.49) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6964489 0.84 SMO (0.50) APOBMTTP
SCHEMBL6964486 0.83 PLAU (0.46) APOBMTTPKMT2AMAPTPRMT5

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