SCHEMBL8208396

SCHEMBL8208396

CN(C)C(=O)CCC1NCCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 11/20 0.56
▸ MTTP P55157 11/20 0.56
▸ SMO Q99835 3/20 0.47
▸ KLRK1 P26718 3/20 0.44
▸ MICA Q29983 3/20 0.44
▸ RAET1L Q5VY80 3/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL8210367 0.93 MTTP (0.52) APOBMTTPSMOKDM4E
SCHEMBL8211362 0.87 MTTP (0.54) APOBMTTPSMOKDM4E
SCHEMBL8206850 0.86 MTTP (0.58) APOBMTTPSMOKDM4E
SCHEMBL8200954 0.77 MTTP (0.57) APOBMTTPSMOKDM4E
SCHEMBL8472708 0.76 APOB (0.52) APOBMTTPSMOKDM4E
SCHEMBL8208154 0.76 APOB (0.59) APOBMTTPSMOKDM4E
SCHEMBL6645543 0.75 MTTP (0.61) APOBMTTPSMOKDM4E
SCHEMBL8208303 0.74 APOB (0.62) APOBMTTPSMOKDM4E
Hydrochloric Acid SCHEMBL6803931 0.74 MTTP (0.60) APOBMTTPSMOKDM4E
SCHEMBL8208669 0.72 MTTP (0.57) APOBMTTPSMOKDM4E

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
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 — — US disclosed
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