SCHEMBL10057056

SCHEMBL10057056

CCC(C)NC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.84

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
SCHEMBL12046597 0.91 P2RX3 (1.00) P2RX3
SCHEMBL12046609 0.88 P2RX3 (0.83) P2RX3
SCHEMBL9983064 0.88 P2RX3 (0.81) P2RX3
SCHEMBL15081124 0.86 P2RX3 (0.78) P2RX3
SCHEMBL17879621 0.86 P2RX3 (0.81) P2RX3
SCHEMBL12046599 0.85 P2RX3 (1.00) P2RX3
SCHEMBL12046612 0.85 P2RX3 (1.00) P2RX3
SCHEMBL12046616 0.85 P2RX3 (0.81) P2RX3
SCHEMBL9983197 0.84 P2RX3 (1.00) P2RX3
SCHEMBL12046595 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
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