SCHEMBL6964489

SCHEMBL6964489

O=C(Nc1ccc2c(c1)CCN(Cc1ccccn1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.50
P2RY1 P47900 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MTTP P55157 4/20 0.42
GUCY1A1 Q02108 4/20 0.42
GUCY1B1 Q02153 4/20 0.42
APOB P04114 3/20 0.42
SRPK1 Q96SB4 5/20 0.40
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
SRPK2 P78362 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SRPK3 Q9UPE1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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 0.93 SMO (0.45) SMOHTR2AHTR2CHTR2BMTTP
SCHEMBL6974835 0.88 ABCB1 (0.48) HTR2CHTR2BMTTPAPOB
SCHEMBL6964482 0.87 MCHR1 (0.43) SMOHTR2CMTTPAPOB
SCHEMBL6966580 0.87 SCN9A (0.43) SMOMTTPAPOB
SCHEMBL6969823 0.87 MTTP (0.43) SMOMTTPAPOBSRPK1
SCHEMBL6967435 0.87 APOB (0.41) SMOMTTPAPOB
SCHEMBL6677620 0.85 APOB (0.41) SMOMTTPAPOB
SCHEMBL6974444 0.85 KDM4E (0.44) SMOMTTPAPOB
SCHEMBL6965865 0.84 APOB (0.41) SMOMTTPAPOB
SCHEMBL6974667 0.84 MEN1 (0.49) MTTPAPOBSRPK1

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