SCHEMBL16166319

SCHEMBL16166319

COc1ccc2c(c1)C1(CC(=O)Nc3[nH]ncc31)C(=O)N2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.47
▸ SCN9A Q15858 5/20 0.46
▸ CHRM5 P08912 2/20 0.39

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
SCHEMBL16166357 0.81 SCN9A (0.46) PTGDR2SCN9ACHRM5
SCHEMBL16166561 0.80 PTGDR2 (0.36) PTGDR2
SCHEMBL16166478 0.74 C5AR1 (0.47) PTGDR2SCN9A
SCHEMBL16175837 0.70 NPBWR1 (0.44) SCN9A
SCHEMBL22975291 0.67 PTGDR2 (0.52) PTGDR2SCN9A
SCHEMBL22975295 0.67 PTGDR2 (0.52) PTGDR2SCN9A
SCHEMBL22975274 0.67 PTGDR2 (0.43) PTGDR2SCN9A
SCHEMBL22975275 0.67 PTGDR2 (0.43) PTGDR2SCN9A
SCHEMBL10974094 0.67 PTGDR2 (0.61) PTGDR2
SCHEMBL4960642 0.67 PTGDR2 (0.60) 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-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 — — WO disclosed
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