SCHEMBL6665641

SCHEMBL6665641

O=C(Nc1ccc2c(c1)CCN2)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APOB P04114 11/20 0.51
MTTP P55157 10/20 0.51
RXFP1 Q9HBX9 3/20 0.44
SMO Q99835 2/20 0.44
MAPK14 Q16539 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
TP53 P04637 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
Hydrochloric Acid SCHEMBL6662670 0.99 APOB (0.50) APOBMTTPRXFP1SMOMAPK14
SCHEMBL6645543 0.89 MTTP (0.61) APOBMTTPSMOTP53
Hydrochloric Acid SCHEMBL6803931 0.88 MTTP (0.60) APOBMTTPSMOTP53
SCHEMBL6801574 0.87 APOB (0.49) APOBMTTPRXFP1PARP10PARP11
SCHEMBL6662272 0.84 L3MBTL1 (0.51) APOBMTTPPARP10PARP11TP53
Hydrochloric Acid SCHEMBL6664266 0.83 L3MBTL1 (0.50) APOBMTTPTP53
SCHEMBL6665124 0.83 S1PR1 (0.44) APOBMTTPSMO
Hydrochloric Acid SCHEMBL6670752 0.82 S1PR1 (0.43) APOBMTTPSMO
SCHEMBL6665956 0.82 RXFP1 (0.41) APOBMTTPRXFP1MAPK14TP53
SCHEMBL6665172 0.82 GAA (0.54) MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed