SCHEMBL12265477

SCHEMBL12265477

COc1ccc2c(c1)CN(C(=O)c1cccc(C(O)N3CCSc4ccc(OC)cc4C3)n1)CCS2

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 20/20 0.78

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
SCHEMBL6866330 0.88 RYR2 (1.00) RYR2
SCHEMBL13392720 0.78 RYR2 (0.87) RYR2
SCHEMBL807118 0.76 RYR2 (1.00) RYR2
SCHEMBL807117 0.74 RYR2 (0.79) RYR2
SCHEMBL3428995 0.74 RYR2 (0.83) RYR2
SCHEMBL3428542 0.73 RYR2 (0.77) RYR2
SCHEMBL806687 0.73 RYR2 (1.00) RYR2
Aladorian SCHEMBL3423110 0.73 RYR2 (1.00) RYR2
Aladorian SCHEMBL29379838 0.73 RYR2 (1.00) RYR2
SCHEMBL26345480 0.73 RYR2 (0.78) RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed