SCHEMBL6969823

SCHEMBL6969823

O=C(Nc1ccc2c(c1)CCN(Cc1nccs1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.43
SMO Q99835 3/20 0.43
SRPK1 Q96SB4 3/20 0.42
APOB P04114 6/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
C5AR1 P21730 1/20 0.38
ACACB O00763 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NR3C1 P04150 1/20 0.37
ABCB1 P08183 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 0.89 SMO (0.45) MTTPSMOAPOBJAK2JAK3
SCHEMBL6974444 0.88 KDM4E (0.44) MTTPSMOAPOBJAK2JAK3
SCHEMBL6964489 0.87 SMO (0.50) MTTPSMOSRPK1APOB
SCHEMBL6974835 0.86 ABCB1 (0.48) MTTPAPOBACACBABCB1
SCHEMBL6966580 0.85 SCN9A (0.43) MTTPSMOAPOBJAK2JAK3
SCHEMBL6967435 0.85 APOB (0.41) MTTPSMOAPOBJAK2JAK3
SCHEMBL6974687 0.85 ABCB1 (0.41) MTTPAPOBACACBABCB1
SCHEMBL6677620 0.84 APOB (0.41) MTTPSMOAPOBJAK2JAK3
SCHEMBL6965865 0.82 APOB (0.41) MTTPSMOAPOBJAK2JAK3
SCHEMBL6974667 0.82 MEN1 (0.49) MTTPSRPK1APOBJAK2JAK3

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