SCHEMBL6974830

SCHEMBL6974830

O=C(Nc1ccccc1)ON1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.56
APOB P04114 11/20 0.56
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMO Q99835 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6974648 0.89 MTTP (0.60) MTTPAPOBGAAKDM4ESMO
SCHEMBL6970130 0.89 SMO (0.54) MTTPAPOBGAAKDM4ESMO
SCHEMBL6966949 0.88 MTTP (0.53) MTTPAPOBSMO
SCHEMBL6973182 0.85 MTTP (0.52) MTTPAPOBGAAKDM4ESMO
SCHEMBL6973765 0.85 APOB (0.58) MTTPAPOBGAAKDM4ESMO
SCHEMBL6966884 0.84 APOB (0.61) MTTPAPOBGAAKDM4ESMO
SCHEMBL8213389 0.83 APOB (0.60) MTTPAPOBGAAKDM4ESMO
SCHEMBL8227337 0.83 APOB (0.56) MTTPAPOBGAAKDM4ESMO
SCHEMBL8208323 0.81 APOB (0.58) MTTPAPOBGAAKDM4ESMO
SCHEMBL8200984 0.81 APOB (0.62) MTTPAPOBGAAKDM4ESMO

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