SCHEMBL7559448

SCHEMBL7559448

CC(=O)N1CCSc2cccc(F)c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
RYR2 Q92736 5/20 0.43
KCNK3 O14649 1/20 0.41
CREBBP Q92793 3/20 0.40
EP300 Q09472 2/20 0.40
LMNA P02545 2/20 0.40
BAZ2B Q9UIF8 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.36
GABRA3 P34903 1/20 0.36
BRD4 O60885 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7557374 0.84 NOTUM (0.47) NOTUMRYR2CREBBPEP300LMNA
SCHEMBL7554452 0.83 NOTUM (0.46) NOTUMRYR2LMNABAZ2BMAPT
SCHEMBL7560987 0.76 RYR2 (0.72) NOTUMRYR2
SCHEMBL7555246 0.74 RYR2 (0.48) NOTUMRYR2KCNK3HTT
SCHEMBL8404042 0.72 NOTUM (0.61) NOTUMKCNK3CREBBPEP300LMNA
SCHEMBL31332421 0.71 NOTUM (0.46) NOTUMRYR2
SCHEMBL12265295 0.70 RYR2 (0.42) NOTUMRYR2
SCHEMBL11485653 0.70 MCL1 (0.50) NOTUMCREBBPLMNABAZ2BMAPT
SCHEMBL3427063 0.69 RYR2 (0.46) NOTUMRYR2LMNAMAPK1
SCHEMBL7556712 0.69 RYR2 (0.45) NOTUMRYR2CREBBPMAPTBRD4

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