SCHEMBL13451900

SCHEMBL13451900

Cc1ccc(OC(C)(C)C)c(CNC(=O)[C@@]2(C(C)C)CCC(=O)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.38
PDE10A Q9Y233 1/20 0.35
P2RX7 Q99572 1/20 0.34
FPR3 P25089 1/20 0.32
POLB P06746 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
SCHEMBL13451779 0.83 CCR2 (0.38) CCR2P2RX7
SCHEMBL3165046 0.81 PPARD (0.38) CCR2
SCHEMBL13451778 0.79 CCR2 (0.39) CCR2
SCHEMBL14081575 0.69 CCR2 (0.62) CCR2
SCHEMBL14513598 0.66 CCR2 (0.52) CCR2
SCHEMBL13934251 0.66 CCR2 (0.56) CCR2
SCHEMBL4477732 0.61 NPSR1 (0.32)
SCHEMBL3625325 0.61 PPARD (0.37) CCR2P2RX7
SCHEMBL14369979 0.60 PPARG (0.47)
SCHEMBL3170282 0.59 FFAR3 (0.30)

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-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed