SCHEMBL6967435

SCHEMBL6967435

O=C(Nc1ccc2c(c1)CCN(Cc1nc[nH]n1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOB P04114 10/20 0.41
MTTP P55157 9/20 0.41
SMO Q99835 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
ABCB1 P08183 1/20 0.37
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
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL6973499 0.92 SMO (0.45) APOBMTTPSMOJAK2JAK3
SCHEMBL690395 0.88 MTTP (0.51) APOBMTTPSMOGAAMAPT
SCHEMBL6974835 0.87 ABCB1 (0.48) APOBMTTPABCB1TNFNOD2
SCHEMBL6964489 0.87 SMO (0.50) APOBMTTPSMO
SCHEMBL6677620 0.86 APOB (0.41) APOBMTTPSMOJAK2JAK3
SCHEMBL6966580 0.86 SCN9A (0.43) APOBMTTPSMOJAK2JAK3
SCHEMBL6965865 0.85 APOB (0.41) APOBMTTPSMOJAK2JAK3
SCHEMBL6969823 0.85 MTTP (0.43) APOBMTTPSMOJAK2JAK3
SCHEMBL6974444 0.84 KDM4E (0.44) APOBMTTPSMOJAK2JAK3
SCHEMBL6974667 0.84 MEN1 (0.49) APOBMTTPJAK2JAK3PTK2

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