SCHEMBL14147013

SCHEMBL14147013

COC(=O)[C@H](CCCN)NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 15/20 0.60
LNPEP Q9UIQ6 2/20 0.42
ANPEP P15144 1/20 0.42
CNR2 P34972 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 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
SCHEMBL27793044 0.89 C3AR1 (0.74) C3AR1
SCHEMBL4425908 0.89 C3AR1 (0.74) C3AR1
SCHEMBL27793143 0.85 C3AR1 (0.53) C3AR1
SCHEMBL14090944 0.83 C3AR1 (0.52) C3AR1
SCHEMBL4425958 0.81 C3AR1 (0.61) C3AR1
SCHEMBL4438794 0.79 C3AR1 (0.76) C3AR1
SCHEMBL4986330 0.79 C3AR1 (0.76) C3AR1
SCHEMBL8446744 0.78 LNPEP (0.54) LNPEPANPEPCNR2ERAP2ERAP1
SCHEMBL27772085 0.78 C3AR1 (0.69) C3AR1TAS1R3TAS1R1
SCHEMBL4438829 0.78 C3AR1 (0.52) 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
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed