SCHEMBL7651901

SCHEMBL7651901

CC[N+](CC)(CC)CC(=O)Nc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 1/20 0.56
SCN1A P35498 3/20 0.53
SCN2A Q99250 3/20 0.53
SCN3A Q9NY46 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.51
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
TAS2R10 Q9NYW0 1/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7648637 0.83 TP53 (0.45) LMNAALDH1A1MAPTTP53POLB
SCHEMBL7653547 0.82 SCN1A (0.51) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL7653120 0.81 HDAC1 (0.43) ALDH1A1CYP1A2CYP2C9TP53CYP2D6
SCHEMBL7651347 0.80 HDAC1 (0.46) MEN1KMT2ATP53CYP3A4
SCHEMBL98001 0.80 GAA (0.56) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL18439033 0.79 LMNA (0.60) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL12417395 0.78 ALDH1A1 (0.58) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL2287687 0.78 ALDH1A1 (0.58) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL2287690 0.78 ALDH1A1 (0.58) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL145468 0.77 TP53 (0.67) LMNAALDH1A1MEN1KMT2AMAPT

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