SCHEMBL3425724

SCHEMBL3425724

COc1ccc2c(c1)CN(C(=O)N1CCN(C(=O)O)CC1)CCS2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 20/20 0.80
KCNH2 Q12809 1/20 0.63

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
SCHEMBL3428995 0.91 RYR2 (0.83) RYR2
SCHEMBL807005 0.89 RYR2 (1.00) RYR2KCNH2
SCHEMBL6867074 0.88 RYR2 (0.72) RYR2KCNH2
SCHEMBL3397576 0.87 RYR2 (0.79) RYR2KCNH2
SCHEMBL6866991 0.87 RYR2 (1.00) RYR2KCNH2
SCHEMBL6868448 0.85 RYR2 (0.72) RYR2KCNH2
Aladorian SCHEMBL3423110 0.85 RYR2 (1.00) RYR2
Aladorian SCHEMBL29379838 0.85 RYR2 (1.00) RYR2
SCHEMBL13309115 0.85 RYR2 (0.74) RYR2KCNH2
SCHEMBL12894333 0.84 RYR2 (0.70) RYR2KCNH2

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
EP-2250159-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES Armgo Pharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed