SCHEMBL8199847

SCHEMBL8199847

O=C(Nc1ccc2c(c1)CCN(C1CCOCC1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 11/20 0.56
▸ MTTP P55157 11/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SMO Q99835 1/20 0.49
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AVPR2 P30518 2/20 0.45
▸ AVPR1A P37288 2/20 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
SCHEMBL8208363 0.91 MTTP (0.57) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8208142 0.91 APOB (0.60) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8208177 0.90 APOB (0.56) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8207711 0.89 MTTP (0.59) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8227639 0.89 MTTP (0.55) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8507710 0.88 APOB (0.59) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8508125 0.88 APOB (0.67) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8207614 0.87 MTTP (0.53) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8207798 0.87 APOB (0.58) APOBMTTPKDM4EGAAALDH1A1
SCHEMBL8507431 0.84 KDM4E (0.58) APOBMTTPKDM4EGAAALDH1A1

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
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