SCHEMBL7559424

SCHEMBL7559424

O=CN1CCSc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 14/20 0.55
NOTUM Q6P988 1/20 0.39
KCNH2 Q12809 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B3 P37058 1/20 0.33

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
SCHEMBL14862467 0.77 RYR2 (0.50) RYR2NOTUMKCNH2KDM4E
SCHEMBL3430419 0.76 RYR2 (0.66) RYR2
SCHEMBL15672243 0.76 RYR2 (0.39) RYR2KCNH2
SCHEMBL8248175 0.74 RYR2 (0.57) RYR2NOTUMKCNH2
SCHEMBL15943487 0.74 RYR2 (0.58) RYR2NOTUMKCNH2KDM4EHSD17B3
SCHEMBL13622172 0.72 RYR2 (0.53) RYR2NOTUM
SCHEMBL13387456 0.71 RYR2 (0.48) RYR2NOTUMKCNH2
SCHEMBL9213673 0.71 RYR2 (0.67) RYR2NOTUMKCNH2
SCHEMBL9635059 0.71 RYR2 (0.72) RYR2NOTUMKCNH2
SCHEMBL7560987 0.71 RYR2 (0.72) RYR2NOTUMKCNH2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218010-A2 1,4-BENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS Knoll GmbH (DE) 2002-07-03 EP claimed
WO-2001000185-A2 1,4-DENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS KNOLL GMBH (DE) 2001-01-04 WO claimed
EP-0667866-B1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS KNOLL AG (DE) 1998-03-11 EP claimed
US-5580866-A Therapeutic 1,4-thiazepines THE BOOTS COMPANY PLC (GB) 1996-12-03 US claimed
EP-0667866-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS Knoll AG (DE) 1995-08-23 EP claimed
WO-1994011360-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS THE BOOTS COMPANY PLC (GB) 1994-05-26 WO claimed
EP-1218010-A2 1,4-BENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS Knoll GmbH (DE) 2002-07-03 EP disclosed
WO-2001000185-A2 1,4-DENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS KNOLL GMBH (DE) 2001-01-04 WO disclosed
EP-0667866-B1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS KNOLL AG (DE) 1998-03-11 EP disclosed
US-5580866-A Therapeutic 1,4-thiazepines THE BOOTS COMPANY PLC (GB) 1996-12-03 US disclosed
EP-0667866-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS Knoll AG (DE) 1995-08-23 EP disclosed
WO-1994011360-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS THE BOOTS COMPANY PLC (GB) 1994-05-26 WO disclosed