SCHEMBL4429482

SCHEMBL4429482

CCCNC(=NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O)NCCC

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 20/20 0.48

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
SCHEMBL4429465 0.88 C3AR1 (0.50) C3AR1
SCHEMBL4989549 0.82 C3AR1 (0.44) C3AR1
SCHEMBL4989542 0.82 C3AR1 (0.44) C3AR1
SCHEMBL4988947 0.82 FOLH1 (0.44) C3AR1
SCHEMBL14090802 0.81 C3AR1 (0.40) C3AR1
SCHEMBL4430852 0.81 C3AR1 (0.46) C3AR1
SCHEMBL4989708 0.81 C3AR1 (0.41) C3AR1
SCHEMBL4990143 0.80 C3AR1 (0.42) C3AR1
SCHEMBL14091004 0.80 C3AR1 (0.47) C3AR1
SCHEMBL4553830 0.80 C3AR1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed