SCHEMBL8208329

SCHEMBL8208329

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.57
APOB P04114 9/20 0.57
SMO Q99835 1/20 0.52
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8210354 0.94 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL8213404 0.94 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL8213416 0.92 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL8208562 0.92 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL4201506 0.90 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL14581689 0.90 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
SCHEMBL8206849 0.90 APOB (0.60) MTTPAPOBSMOKDM4EGAA
SCHEMBL7928573 0.90 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
SCHEMBL8207776 0.90 MTTP (0.56) MTTPAPOBSMOKDM4EGAA
SCHEMBL8507431 0.90 KDM4E (0.58) 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 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