SCHEMBL6677401

SCHEMBL6677401

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(NCCc3cccc(NC(=O)OC(C)(C)C)n3)cc2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
S1PR1 P21453 12/20 0.39
S1PR3 Q99500 7/20 0.39
PTGES O14684 1/20 0.37
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL6679699 0.85 S1PR1 (0.43) S1PR1S1PR3TRPV4
SCHEMBL6498923 0.83 APOB (0.43) SORT1RXFP1
SCHEMBL6685612 0.82 S1PR1 (0.46) RXFP1S1PR1S1PR3
SCHEMBL6679626 0.80 SORT1 (0.40) SORT1S1PR1S1PR3PTGES
SCHEMBL6677053 0.77 ITGB1 (0.44) S1PR1S1PR3
SCHEMBL6680191 0.77 LMNA (0.38) RXFP1S1PR1S1PR3
SCHEMBL6683684 0.76 HTR2A (0.47) S1PR1S1PR3
SCHEMBL6787835 0.76 MTTP (0.47) RXFP1
SCHEMBL6678979 0.75 PDGFRB (0.43) S1PR1S1PR3
SCHEMBL6492113 0.74 MAPKAPK2 (0.40)

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed