SCHEMBL14147095

SCHEMBL14147095

N=C(N)NCCC[C@H](NC(=C1CC1)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 11/20 0.42
▸ FOLH1 Q04609 3/20 0.33
▸ TPSAB1 Q15661 3/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31

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
SCHEMBL4986857 0.88 C3AR1 (0.45) C3AR1FOLH1TPSAB1EPHX2
SCHEMBL4997732 0.76 C3AR1 (0.45) C3AR1
SCHEMBL14115154 0.74 C3AR1 (0.37) C3AR1FOLH1EPHX2
SCHEMBL4566055 0.73 C3AR1 (0.45) C3AR1
SCHEMBL4991622 0.73 C3AR1 (0.45) C3AR1
SCHEMBL4986587 0.71 BRD4 (0.52) C3AR1FOLH1
SCHEMBL4990654 0.70 C3AR1 (0.45) C3AR1FOLH1
SCHEMBL188589 0.70 C3AR1 (0.52) C3AR1FOLH1
SCHEMBL7925397 0.70 C3AR1 (0.52) C3AR1FOLH1
SCHEMBL188590 0.70 C3AR1 (0.52) C3AR1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO disclosed
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