SCHEMBL8205494

SCHEMBL8205494

COc1ccc2c(c1)CN(C(=O)CCCCCI)CCS2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 18/20 0.81
KCNH2 Q12809 1/20 0.58

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
SCHEMBL8192367 0.90 RYR2 (0.83) RYR2KCNH2
SCHEMBL806609 0.90 RYR2 (1.00) RYR2KCNH2
SCHEMBL6866697 0.88 RYR2 (1.00) RYR2
SCHEMBL12894368 0.86 RYR2 (0.88) RYR2KCNH2
SCHEMBL629999 0.85 RYR2 (0.86) RYR2KCNH2
SCHEMBL7880613 0.85 RYR2 (0.86) RYR2KCNH2
SCHEMBL6867475 0.85 RYR2 (0.86) RYR2
SCHEMBL12265307 0.85 RYR2 (0.88) RYR2
SCHEMBL6867184 0.84 RYR2 (0.84) RYR2
SCHEMBL26345148 0.83 RYR2 (0.82) 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
WO-2008060332-A9 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE TRUSTESS OF COLUMBIA UNIVERSIT (US) 2008-07-10 WO disclosed
WO-2008021432-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CONDITIONS AFFECTING THE NERVOUS SYSTEM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO disclosed