SCHEMBL8227337

SCHEMBL8227337

O=C(CN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.56
MTTP P55157 11/20 0.56
SMO Q99835 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 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
SCHEMBL8208323 0.92 APOB (0.58) APOBMTTPSMOKDM4EMAPT
SCHEMBL8200800 0.91 MTTP (0.56) APOBMTTPSMOKDM4EMAPT
SCHEMBL8208665 0.90 MTTP (0.57) APOBMTTPSMOKDM4EMAPT
SCHEMBL8200795 0.90 MTTP (0.61) APOBMTTPSMOKDM4EMAPT
SCHEMBL8508887 0.90 APOB (0.60) APOBMTTPSMOKDM4EMAPT
SCHEMBL8211067 0.90 MTTP (0.61) APOBMTTPSMOKDM4EMAPT
SCHEMBL8213181 0.89 APOB (0.59) APOBMTTPSMOKDM4EMAPT
SCHEMBL8506927 0.88 MTTP (0.59) APOBMTTPSMOKDM4EMAPT
SCHEMBL8200984 0.88 APOB (0.62) APOBMTTPSMOMEN1KMT2A
SCHEMBL8213404 0.88 MTTP (0.58) APOBMTTPSMOKDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 US disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 EP disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 WO disclosed