SCHEMBL1660342

SCHEMBL1660342

N=C(N)NCCC[C@@H](NC(CN)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.46
EPHX2 P34913 4/20 0.36
CCR3 P51677 1/20 0.36
RPS6KB1 P23443 2/20 0.36
TLR2 O60603 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL1660547 1.00 C3AR1 (0.46) C3AR1EPHX2CCR3RPS6KB1TLR2
SCHEMBL21722104 0.90 C3AR1 (0.46) C3AR1EPHX2RPS6KB1TLR2
Arginine SCHEMBL12002430 0.88 FOLH1 (0.39) C3AR1FOLH1
Arginine SCHEMBL1662071 0.88 FOLH1 (0.39) C3AR1FOLH1
Arginine SCHEMBL1660453 0.88 FOLH1 (0.39) C3AR1FOLH1
Arginine SCHEMBL1663212 0.88 FOLH1 (0.39) C3AR1FOLH1
SCHEMBL11125240 0.85 C3AR1 (0.48) C3AR1EPHX2FOLH1
SCHEMBL6331670 0.78 C3AR1 (0.45) C3AR1TLR2FOLH1
SCHEMBL6331668 0.78 C3AR1 (0.45) C3AR1TLR2FOLH1
SCHEMBL29697124 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed