SCHEMBL8208303

SCHEMBL8208303

O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 10/20 0.62
▸ MTTP P55157 9/20 0.62
▸ SMO Q99835 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ MELK Q14680 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SLC2A1 P11166 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ASIC3 Q9UHC3 1/20 0.48

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
SCHEMBL2804700 0.88 MEN1 (0.58) APOBMTTPSMOMELKALDH1A1
SCHEMBL6645543 0.84 MTTP (0.61) APOBMTTPSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6803931 0.84 MTTP (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8025148 0.83 APOB (0.48) APOBMTTPSMOMELKSLC2A1
SCHEMBL14585871 0.82 APOB (0.56) APOBMTTPSMOMELK
SCHEMBL6487719 0.80 MELK (0.51) APOBMTTPMELKSLC2A1ASIC3
SCHEMBL8208177 0.80 APOB (0.56) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL8507709 0.80 MTTP (0.58) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL24508435 0.80 APOB (0.60) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL6966884 0.79 APOB (0.61) 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 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 disclosed
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 — — EP disclosed
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 — — WO disclosed
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