SCHEMBL7652443

SCHEMBL7652443

C[N+](C)(C)CCC(=O)Nc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 10/20 0.55
TP53 P04637 1/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7651530 0.90 CYP3A4 (0.46) TERTTP53CA12CA1CA2
SCHEMBL7648383 0.89 L3MBTL1 (0.47) TERTCA1CA2L3MBTL1HDAC3
SCHEMBL7648637 0.83 TP53 (0.45) TERTTP53POLBCA12CA1
SCHEMBL7653547 0.82 SCN1A (0.51) TP53SCN1ASCN2ASCN3APOLB
SCHEMBL145468 0.80 TP53 (0.67) TP53CA12CA1CA2CA9
SCHEMBL7649864 0.78 TP53 (0.44) TP53POLBL3MBTL1HDAC3HDAC4
SCHEMBL7653120 0.78 HDAC1 (0.43) TP53CA12CA1CA2CA9
SCHEMBL4133285 0.77 ALDH1A1 (0.58) TP53CA12CA1CA2CA9
SCHEMBL7654899 0.77 TP53 (0.43) TP53POLBL3MBTL1HDAC3HDAC4
SCHEMBL3337034 0.77 CYP1A1 (0.65) TP53POLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed