SCHEMBL901614

SCHEMBL901614

COc1ccc(CCNC(=O)O)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA9 Q16790 1/20 0.73
ALDH1A1 P00352 4/20 0.70
MAPT P10636 1/20 0.69
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NAMPT P43490 2/20 0.65
THRB P10828 1/20 0.65
LMNA P02545 1/20 0.65
MEN1 O00255 2/20 0.64
GAA P10253 1/20 0.64
PLAAT3 P53816 1/20 0.64
PLAAT5 Q96KN8 1/20 0.64
PLAAT2 Q9NWW9 1/20 0.64
PLAAT4 Q9UL19 1/20 0.64

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
SCHEMBL15476759 0.89 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL6418730 0.88 MTNR1A (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL27160492 0.88 GAA (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL2224069 0.87 CA12 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL8099685 0.87 CA1 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL10359474 0.87 CA12 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL7265002 0.87 CA12 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL17821665 0.86 MTNR1A (0.65) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL15319511 0.86 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
Water SCHEMBL11279885 0.86 CA12 (0.71) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
EP-3099299-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 Auspex Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
WO-2015112707-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. (US) 2015-07-30 WO disclosed
CN-103232360-B Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid SERVIER LAB 2014-05-21 CN disclosed
CN-102161642-B Method for synthesizing ivabradine and pharmaceutically acceptable acid addition salts thereof SERVIER LAB 2014-03-19 CN disclosed
CN-103265491-A New method for synthesising ivabradine and its addition salts SERVIER LAB 2013-08-28 CN disclosed
CN-103232360-A Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid SERVIER LAB 2013-08-07 CN disclosed
EP-2576552-A2 BENZOQUINOLONE INHIBITORS OF VMAT2 Aupex Pharmaceutical, Inc. (US) 2013-04-10 EP disclosed
EP-2364972-B1 New method for synthesising ivabradine and its addition salts SERVIER LAB (FR) 2012-09-19 EP disclosed
WO-2012041934-A1 POLYSUBSTITUTED 2-AMINOIMIDAZOLES FOR CONTROLLING BIOFILMS AND PROCESS FOR THEIR PRODUCTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-04-05 WO disclosed
WO-2011153157-A2 BENZOQUINOLONE INHIBITORS OF VMAT2 AUSPEX PHARMACEUTICAL, INC. (US) 2011-12-08 WO disclosed
EP-2364972-A1 New method for synthesising ivabradine and its addition salts Les Laboratoires Servier (FR) 2011-09-14 EP disclosed
WO-2011101558-A1 NOVEL METHOD FOR SYNTHESIZING IVABRADINE AND THE PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF LES LABORATOIRES SERVIER (FR) 2011-08-25 WO disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO disclosed
US-4009170-A 1-Ethoxy-3,4-dihydroisoquindines STERLING DRUG INC. (US) 1977-02-22 US disclosed