SCHEMBL8200807

SCHEMBL8200807

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.53
APOB P04114 9/20 0.53
SMO Q99835 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL691418 0.92 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
Hydrochloric Acid SCHEMBL3887925 0.91 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
Hydrochloric Acid SCHEMBL8408661 0.91 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
SCHEMBL8213429 0.91 APOB (0.55) MTTPAPOBSMOKDM4EGAA
SCHEMBL8207484 0.90 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
Hydrochloric Acid SCHEMBL8410108 0.90 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL8208061 0.90 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
SCHEMBL692958 0.90 APOB (0.60) MTTPAPOBSMOKDM4EGAA
SCHEMBL8206946 0.90 APOB (0.54) MTTPAPOBSMOKDM4EGAA
SCHEMBL8199883 0.90 APOB (0.61) MTTPAPOBSMOKDM4EGAA

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 4 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 claimed
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