SCHEMBL7653709

SCHEMBL7653709

C[N+](C)(C)CCCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.64
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HTR1A P08908 1/20 0.46
CHRNB2 P17787 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
APEX1 P27695 3/20 0.45
NFKB1 P19838 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PMP22 Q01453 2/20 0.45

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
Hydrochloric Acid SCHEMBL15663784 0.97 ACHE (0.61) ACHELMNATSHRCHRM2CHRM4
SCHEMBL7648496 0.92 ACHE (0.54) ACHELMNATSHRCHRM2CHRM4
SCHEMBL5703528 0.86
Hydrochloric Acid SCHEMBL8501382 0.83 CHRM5 (0.50) ACHELMNATSHRCHRM2CHRM4
SCHEMBL1568811 0.79 ACHE (0.52) ACHELMNATSHRCHRM2CHRM4
SCHEMBL172269 0.78 ACHE (0.64) ACHELMNATSHRMEN1KMT2A
SCHEMBL14902539 0.78 ACHE (1.00) ACHELMNATSHRCHRM2CHRM4
Hexamethonium SCHEMBL1618254 0.78 MEN1 (0.61) ACHELMNATSHRCHRM2CHRM4
Octadecanoic Acid Amide SCHEMBL27994152 0.77 SOAT1 (0.57) TSHRCYP2C19MEN1KMT2AKDM4E
SCHEMBL27595241 0.77 SOAT1 (0.57) TSHRCYP2C19MEN1KMT2AKDM4E

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 7 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
CN-109312277-A Improve the first film of the sealing intensity of water soluble unit dose product and the purposes of the second film 蒙诺苏尔有限公司 2019-02-05 CN disclosed
CN-102791747-B Gel polymer electrolyte composition KURARAY CO 2014-08-06 CN disclosed
WO-2013064450-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 WO disclosed
CN-102791747-A Gel polymer electrolyte composition KURARAY CO 2012-11-21 CN disclosed