SCHEMBL6663893

SCHEMBL6663893

O=C(Nc1ccc2c(c1)CCN2CCc1ccncc1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOB P04114 6/20 0.45
MTTP P55157 5/20 0.45
FLT1 P17948 4/20 0.44
KDR P35968 4/20 0.44
SMO Q99835 2/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT4 P35916 1/20 0.42
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
ROCK2 O75116 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6802188 0.92 MTTP (0.52) APOBMTTPFLT1KDRSMO
SCHEMBL6666569 0.88 SMO (0.44) APOBMTTPKDRSMOS1PR1
SCHEMBL6666524 0.88 SMO (0.51) APOBMTTPSMOS1PR1S1PR3
SCHEMBL6665703 0.85 CYP11B1 (0.49) APOBMTTPFLT1KDRSMO
SCHEMBL6664413 0.84 HTR2A (0.42) APOBMTTPSMOHIF1AS1PR1
SCHEMBL6669784 0.84 SMO (0.53) APOBMTTPSMO
SCHEMBL6642755 0.83 SMO (0.49) APOBMTTPSMOLMNA
SCHEMBL6666013 0.82 SMO (0.51) APOBMTTPSMOS1PR1S1PR3
SCHEMBL6799860 0.81 SMO (0.61) APOBMTTPSMOKDM4EALDH1A1
SCHEMBL6665795 0.80 APOB (0.44) APOBMTTPKDRSMOALOX5

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