SCHEMBL3351455

SCHEMBL3351455

COC(=O)COc1ccc(Cl)c2c1c(C)c(Cc1ccc(-n3cccn3)cc1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
RORC P51449 11/20 0.40
CHRM1 P11229 5/20 0.38
SCN9A Q15858 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP3A4 P08684 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
SCHEMBL3345546 0.93 PTGDR2 (0.50) PTGDR2RORCCHRM1SCN9AKLKB1
SCHEMBL3345117 0.90 PTGDR2 (0.50) PTGDR2RORCCHRM1KLKB1CYP3A4
SCHEMBL2576335 0.84 PTGDR2 (0.43) PTGDR2RORCCHRM1SCN9AKLKB1
SCHEMBL3344793 0.82 PTGDR2 (0.58) PTGDR2RORCCHRM1KLKB1CYP3A4
SCHEMBL2568427 0.82 RORC (0.48) PTGDR2RORC
SCHEMBL3351438 0.81 TSHR (0.41) PTGDR2RORC
SCHEMBL2574623 0.81 PTGDR2 (0.46) PTGDR2RORCSCN9AKLKB1
SCHEMBL2573811 0.79 PTGDR2 (0.52) PTGDR2RORC
SCHEMBL2573441 0.77 PTGDR2 (0.46) PTGDR2RORCCHRM1SCN9A
SCHEMBL3344721 0.77 P2RX3 (0.42) PTGDR2

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed