SCHEMBL13560544

SCHEMBL13560544

CC(OC(=O)c1cc2ccc(N)cc2n1C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.35
▸ BRPF1 P55201 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ PLA2G10 O15496 4/20 0.31
▸ PLA2G2A P14555 4/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ PLA2G5 P39877 3/20 0.30
▸ B3GNT2 Q9NY97 1/20 0.30

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
SCHEMBL13560567 0.90 CCR2 (0.35) CCR2BRPF1NTSR1GRM1
SCHEMBL13560440 0.81 CCR2 (0.39) CCR2
SCHEMBL13560471 0.79 CLK1 (0.37) CCR2GRM1
SCHEMBL13560533 0.79 CCR2 (0.38) CCR2BRPF1PLA2G10PLA2G2A
SCHEMBL13560627 0.74 CCR2 (0.39) CCR2
SCHEMBL2003462 0.72 BRPF1 (0.38) CCR2BRPF1NTSR1
SCHEMBL13560510 0.71 SRD5A2 (0.35) —
SCHEMBL3033212 0.70 NR1H2 (0.41) —
SCHEMBL13560477 0.70 SRD5A2 (0.35) GRM1
SCHEMBL13560410 0.69 SRD5A2 (0.34) —

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
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