SCHEMBL10048242

SCHEMBL10048242

CC(C)Oc1ccc(Nc2nccc(=O)n2Cc2ccc(Cl)cc2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 1.00

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
SCHEMBL10048385 0.86 P2RX3 (1.00) P2RX3
SCHEMBL10047724 0.85 P2RX3 (1.00) P2RX3
SCHEMBL10048239 0.85 P2RX3 (1.00) P2RX3
SCHEMBL17339916 0.83 P2RX3 (1.00) P2RX3
SCHEMBL9983087 0.82 P2RX3 (0.78) P2RX3
SCHEMBL10048228 0.82 P2RX3 (0.85) P2RX3
SCHEMBL17339915 0.82 P2RX3 (1.00) P2RX3
SCHEMBL17339917 0.82 P2RX3 (0.89) P2RX3
SCHEMBL10055860 0.82 P2RX3 (1.00) P2RX3
SCHEMBL10047959 0.81 P2RX3 (1.00) P2RX3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 — — EP disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 — — US disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 — — US disclosed
WO-2012020742-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
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