SCHEMBL6974835

SCHEMBL6974835

O=C(Nc1ccc2c(c1)CCN(Cc1ccccc1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.48
APOB P04114 4/20 0.47
MTTP P55157 3/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
NOD1 Q9Y239 3/20 0.45
TNF P01375 2/20 0.45
NOD2 Q9HC29 2/20 0.45
ACACB O00763 1/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
DRD4 P21917 2/20 0.42
MGLL Q99685 1/20 0.42
CHRM2 P08172 1/20 0.42

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 0.94 UBE2M (0.45) ABCB1APOBMTTPHIF1AEPAS1
SCHEMBL6974687 0.90 ABCB1 (0.41) ABCB1APOBMTTPNOD1TNF
SCHEMBL6973499 0.90 SMO (0.45) ABCB1APOBMTTPNOD1TNF
SCHEMBL6967730 0.89 ABCB1 (0.44) ABCB1APOBMTTPNOD1TNF
SCHEMBL6974444 0.89 KDM4E (0.44) ABCB1APOBMTTPNOD1TNF
SCHEMBL6968947 0.88 ABCB1 (0.40) ABCB1APOBMTTPNOD1TNF
SCHEMBL6974667 0.88 MEN1 (0.49) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6965865 0.88 APOB (0.41) ABCB1APOBMTTPNOD1TNF
SCHEMBL6964489 0.88 SMO (0.50) APOBMTTPHTR2CHTR2B
SCHEMBL6964486 0.87 PLAU (0.46) APOBMTTPKMT2AMAPT

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