SCHEMBL6974444

SCHEMBL6974444

O=C(Nc1ccc2c(c1)CCN(Cc1cccs1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MTTP P55157 9/20 0.41
APOB P04114 9/20 0.41
SMO Q99835 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
POLB P06746 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ACACB O00763 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37

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 0.89 ABCB1 (0.48) KDM4EALDH1A1MTTPAPOBMAPT
SCHEMBL6969823 0.88 MTTP (0.43) MTTPAPOBSMOABCB1ACACB
SCHEMBL6974687 0.88 ABCB1 (0.41) MTTPAPOBABCB1TNFNOD2
SCHEMBL6963054 0.88 PAX8 (0.41) MTTPAPOBSMOGAAMAPT
SCHEMBL6973499 0.87 SMO (0.45) MTTPAPOBSMOABCB1TNF
SCHEMBL6974667 0.87 MEN1 (0.49) KDM4EALDH1A1MTTPAPOBGAA
SCHEMBL6965865 0.85 APOB (0.41) MTTPAPOBSMOGAAMAPT
SCHEMBL6964489 0.85 SMO (0.50) MTTPAPOBSMO
SCHEMBL6677620 0.85 APOB (0.41) MTTPAPOBSMOABCB1TNF
SCHEMBL6964486 0.85 PLAU (0.46) MTTPAPOBSMOGAAMAPT

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