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SCHEMBL1098491

SCHEMBL1098491

CS(=O)(=O)c1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.73
▸ CACNA1H O95180 4/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ TRPA1 O75762 1/20 0.32

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
SCHEMBL1098393 1.00 P2RX7 (0.73) P2RX7CACNA1HNR1H2NR1H3CACNA1C
SCHEMBL1098727 0.89 P2RX7 (0.81) P2RX7CACNA1HCACNA1C
SCHEMBL1099425 0.88 P2RX7 (0.79) P2RX7CACNA1HCACNA1C
SCHEMBL1099298 0.86 P2RX7 (0.75) P2RX7CACNA1HCACNA1CMEN1KMT2A
SCHEMBL1100500 0.86 P2RX7 (0.75) P2RX7CACNA1HCACNA1CMEN1KMT2A
SCHEMBL1100228 0.86 P2RX7 (0.77) P2RX7CACNA1HCACNA1C
SCHEMBL1098598 0.86 P2RX7 (0.82) P2RX7CACNA1HKMT2A
SCHEMBL1098826 0.85 P2RX7 (0.76) P2RX7CACNA1HCACNA1C
SCHEMBL1099335 0.85 P2RX7 (0.75) P2RX7CACNA1HCACNA1C
SCHEMBL1100244 0.85 P2RX7 (1.00) P2RX7KMT2A

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-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 — — US disclosed