SCHEMBL21129414

SCHEMBL21129414

N=C(N)NCCC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1)C(=O)NSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 18/20 0.55
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
HPGDS O60760 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
SCHEMBL4992987 0.87 C3AR1 (0.70) C3AR1
SCHEMBL29137287 0.87 C3AR1 (0.70) C3AR1
SCHEMBL14938887 0.83 C3AR1 (0.53) C3AR1
SCHEMBL16144988 0.83 C3AR1 (0.53) C3AR1
SCHEMBL21129159 0.80 C3AR1 (0.54) C3AR1
SCHEMBL4995868 0.78 C3AR1 (0.66) C3AR1
SCHEMBL4986846 0.77 C3AR1 (0.65) C3AR1
SCHEMBL4996254 0.77 C3AR1 (0.65) C3AR1
SCHEMBL4994140 0.75 C3AR1 (0.62) C3AR1
SCHEMBL4992256 0.75 C3AR1 (0.62) C3AR1

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
EP-2776411-B1 MODULATORS OF C3A RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed