SCHEMBL6970130

SCHEMBL6970130

O=C(Nc1ccccn1)ON1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.54
MTTP P55157 12/20 0.52
APOB P04114 11/20 0.52
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL6974830 0.89 MTTP (0.56) SMOMTTPAPOBGAAKDM4E
SCHEMBL6971759 0.86 SMO (0.56) SMOMTTPAPOBGAAKDM4E
SCHEMBL6974648 0.83 MTTP (0.60) SMOMTTPAPOBGAAKDM4E
SCHEMBL6966949 0.82 MTTP (0.53) SMOMTTPAPOB
SCHEMBL6973182 0.81 MTTP (0.52) SMOMTTPAPOBGAAKDM4E
SCHEMBL6799386 0.81 SMO (0.55) SMOMTTPAPOBGAAKDM4E
SCHEMBL8201197 0.79 SMO (0.63) SMOMTTPAPOBGAAKDM4E
SCHEMBL6966884 0.78 APOB (0.61) SMOMTTPAPOBGAAKDM4E
SCHEMBL8591888 0.78 SMO (0.46) SMOMTTPAPOBCHRNB2CHRNB4
SCHEMBL8208665 0.78 MTTP (0.57) SMOMTTPAPOBGAAKDM4E

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