SCHEMBL7651530

SCHEMBL7651530

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
TERT O14746 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 6/20 0.44
HDAC11 Q96DB2 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC3 O15379 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL7648383 0.95 L3MBTL1 (0.47) CYP3A4CYP1A2CYP2D6TERTL3MBTL1
SCHEMBL7652443 0.90 TERT (0.55) TERTL3MBTL1HDAC1HDAC11HDAC8
SCHEMBL7653120 0.84 HDAC1 (0.43) CYP3A4CYP1A2CYP2D6L3MBTL1HDAC1
SCHEMBL4133285 0.81 ALDH1A1 (0.58) CYP1A2CYP2D6CA1CA2CA12
SCHEMBL7651347 0.80 HDAC1 (0.46) CYP3A4L3MBTL1HDAC1HDAC11HDAC8
SCHEMBL5306363 0.80 CA1 (0.59) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL7653547 0.80 SCN1A (0.51) CYP1A2MEN1KMT2ACA1CA2
SCHEMBL5695284 0.79 SOAT2 (0.60) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL9776434 0.79 SOAT2 (0.60) HDAC1HDAC11HDAC8HDAC6HDAC3
SCHEMBL1005094 0.79 SOAT2 (0.60) HDAC1HDAC11HDAC8HDAC6HDAC3

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