SCHEMBL6969388

SCHEMBL6969388

O=C(Nc1ccc2c(c1)CCN(C(=O)Cc1cccs1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.51
APOB P04114 10/20 0.51
SMO Q99835 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6963054 0.87 PAX8 (0.41) MTTPAPOBSMOGAAMAPT
SCHEMBL6974436 0.86 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
SCHEMBL8207409 0.85 MTTP (0.51) MTTPAPOBSMOKDM4EGAA
SCHEMBL6975568 0.85 MTTP (0.51) MTTPAPOBSMOKDM4EGAA
SCHEMBL6973387 0.85 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL6966884 0.84 APOB (0.61) MTTPAPOBSMOKDM4EGAA
SCHEMBL6965797 0.84 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL6973467 0.84 MTTP (0.55) MTTPAPOBSMOKDM4EGAA
SCHEMBL8470465 0.84 POLB (0.41) MTTPKDM4EGAAALDH1A1LMNA
SCHEMBL7626403 0.83 MTTP (0.54) 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 5 patents. 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 disclosed
EP-1099442-A2 Methods of administering apo B-secretion/MTP inhibitors Pfizer Products Inc. (US) 2001-05-16 EP disclosed
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