SCHEMBL8206850

SCHEMBL8206850

O=C(Nc1ccc2c(c1)CCNC2CCc1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 11/20 0.58
▸ APOB P04114 9/20 0.58
▸ SMO Q99835 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL8211362 0.88 MTTP (0.54) MTTPAPOBSMORXFP1KDM4E
SCHEMBL8208396 0.86 APOB (0.56) MTTPAPOBSMOKDM4E
SCHEMBL8210367 0.85 MTTP (0.52) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL8472708 0.80 APOB (0.52) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL13591588 0.78 APOB (0.83) MTTPAPOBSMO
SCHEMBL6645543 0.76 MTTP (0.61) MTTPAPOBSMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6803931 0.76 MTTP (0.60) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL8208303 0.76 APOB (0.62) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL8206849 0.75 APOB (0.60) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL7605756 0.74 APOB (0.57) MTTPAPOBRXFP1PPARGPPARD

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
EP-0944602-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1999-09-29 — — EP claimed
WO-1998023593-A1 APO B-SECRETION/MTP INHIBITORY AMIDES PFIZER INC. (US) 1998-06-04 — — WO claimed
US-6121283-A Apo B-secretion/MTP inhibitory amides PFIZER INC (US) 2000-09-19 — — US disclosed
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