SCHEMBL2452005

SCHEMBL2452005

CN1C2CCC1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.69
CHRM2 P08172 6/20 0.69
CHRM1 P11229 6/20 0.69
CHRM4 P08173 5/20 0.69
CHRM5 P08912 5/20 0.69
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
CHRNA7 P36544 1/20 0.62
HTR3A P46098 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
LMNA P02545 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HRH1 P35367 1/20 0.57
KCNH2 Q12809 1/20 0.57
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL4888510 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4002813 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4888518 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL5705610 0.99 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL12463959 0.88 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6573969 0.87 HTR3E (0.57) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4883633 0.86 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4883635 0.86 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL23494953 0.85 HTR3E (0.58) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL23494956 0.85 HTR3E (0.58) CHRM3CHRM2CHRM1CHRM4CHRM5

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
US-6093805-A AGLYCON COMPOUNDS HAVING HYDROXY, MERCAPTO, OR CARBOXY GROUP AND LINKED TO MONO- AND DISACCHARIDES HAVING 2,3-DIDEOXY-ALPHA-D-ERYTHRO-HEX-2-ENOPYRANOSIDE MOIETY; BETTER PHARMACOLOGICAL PROPERTIES INCLUDING WATER SOLUBILITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-25 US claimed
WO-1995032981-A1 NOVEL GLYCOSIDE COMPOUNDS AND PRODUCTION AND USE THEREOF HARRIER, INC. (US) 1995-12-07 WO claimed
CN-102964345-A Method for preparing 2-hydroxy-2,2-diphenylacetic acid-3alpha-(8-aza-bicyclo(3,2,1))-3-trioctyl UNIV SICHUAN SCI & ENG 2013-03-13 CN disclosed
CN-102333775-A Process for the preparation of nortropine benzilate and salts thereof and intermediates used therein BEIJING MEDIKING BIOPHARM CO LTD 2012-01-25 CN disclosed
WO-2011116491-A1 PREPARATION METHOD FOR NORTROPINE BENZILATE AND ITS SALTS AND INTERMEDIATES USED IN SAID METHOD 北京世纪迈劲生物科技有限公司 (CN) 2011-09-29 WO disclosed
EP-0597018-B1 GLYCOSIDATION REACTION HARRIER INC (US) 1999-10-06 EP disclosed
US-5614629-A QUATERNARIUM COMPOUNDS FOR TEMPLATES MOBIL OIL CORPORATION (US) 1997-03-25 US disclosed
EP-0597018-A4 NOVEL GLYCOSIDE COMPOUNDS AND PRODUCTION AND USE THEREOF. HARRIER INC (US) 1996-02-07 EP disclosed
EP-0597018-A1 NOVEL GLYCOSIDE COMPOUNDS AND PRODUCTION AND USE THEREOF HARRIER, INC. (US) 1994-05-18 EP disclosed
WO-1993001821-A1 NOVEL GLYCOSIDE COMPOUNDS AND PRODUCTION AND USE THEREOF HARRIER, INC. (US) 1993-02-04 WO disclosed
EP-0195498-A2 Tropane derivatives, their synthesis and their use MOBIL OIL CORPORATION (US) 1986-09-24 EP disclosed
US-4042700-A SPASMOLYTIC, ANTISECRETORY, ANTIULCER BOEHRINGER INGELHEIM GMBH (DT) 1977-08-16 US disclosed