SCHEMBL6964482

SCHEMBL6964482

O=C(Nc1ccc2c(c1)CCN(Cc1ccc3ccccc3n1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
FAAH O00519 2/20 0.42
HTR2C P28335 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.40
APOB P04114 5/20 0.40
MTTP P55157 4/20 0.40
ABCB1 P08183 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
SMO Q99835 1/20 0.39
PTPN1 P18031 1/20 0.38

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 0.88 SMO (0.45) HTR2CAPOBMTTPABCB1JAK2
SCHEMBL6964489 0.87 SMO (0.50) HTR2CAPOBMTTPSMO
SCHEMBL6974835 0.86 ABCB1 (0.48) HTR2CAPOBMTTPABCB1
SCHEMBL6974297 0.85 CACNA1G (0.51) MCHR1APOBMTTPJAK2JAK3
SCHEMBL6966580 0.84 SCN9A (0.43) APOBMTTPABCB1JAK2JAK3
SCHEMBL6967435 0.83 APOB (0.41) APOBMTTPABCB1JAK2JAK3
SCHEMBL6974444 0.83 KDM4E (0.44) APOBMTTPABCB1JAK2JAK3
SCHEMBL6974667 0.82 MEN1 (0.49) APOBMTTPABCB1JAK2JAK3
SCHEMBL6965865 0.82 APOB (0.41) APOBMTTPABCB1JAK2JAK3
SCHEMBL6969823 0.82 MTTP (0.43) APOBMTTPABCB1JAK2JAK3

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