SCHEMBL8199883

SCHEMBL8199883

O=C(NCCN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.61
MTTP P55157 8/20 0.54
EPHX2 P34913 3/20 0.50
SMO Q99835 1/20 0.49
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 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
SCHEMBL8213429 0.92 APOB (0.55) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8206946 0.92 APOB (0.54) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL691418 0.92 MTTP (0.59) APOBMTTPSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8408661 0.91 MTTP (0.59) APOBMTTPSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3887925 0.91 MTTP (0.59) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8207484 0.90 MTTP (0.53) APOBMTTPSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8410108 0.90 MTTP (0.58) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8208061 0.90 MTTP (0.53) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8200807 0.90 MTTP (0.53) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL692958 0.90 APOB (0.60) APOBMTTPSMOKDM4EALDH1A1

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