SCHEMBL8199895

SCHEMBL8199895

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APOB P04114 9/20 0.57
MTTP P55157 16/20 0.56
SMO Q99835 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8206848 0.91 MTTP (0.56) APOBMTTPSMOKDM4E
SCHEMBL8208880 0.91 MTTP (0.56) APOBMTTPSMOKDM4E
SCHEMBL8207411 0.89 MTTP (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL690258 0.86 APOB (0.56) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL4965235 0.85 MTTP (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL6966884 0.85 APOB (0.61) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8212442 0.84 APOB (0.54) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8208392 0.84 MTTP (0.58) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8213389 0.84 APOB (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8208329 0.83 MTTP (0.57) 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