SCHEMBL4412330

SCHEMBL4412330

CN(C)CCOC(=O)C=CC(=O)OCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRM3 P20309 1/20 0.58
CHRNA4 P43681 1/20 0.58
ATM Q13315 1/20 0.52
HCAR2 Q8TDS4 5/20 0.48
DNM1 Q05193 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL5540497 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3134075 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15512163 0.92 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL16435294 0.92 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3134090 0.92 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL5540490 0.92 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15499940 0.92 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL8013068 0.92 HCAR2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL3134066 0.92 HCAR2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRNB2
Hydrochloric Acid SCHEMBL15512237 0.90 HCAR2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638118-B2 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2009-12-29 US disclosed
EP-1735267-B1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2008-07-23 EP disclosed
US-20070009475-A1 Aminoalkyl substituted esters and amides of fumaric acid for neutralizing malodor GIVAUDAN SA (CH) 2007-01-11 US disclosed
EP-1735267-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR Givaudan SA (CH) 2006-12-27 EP disclosed
WO-2005021051-A1 AMINOALKYL SUBSTITUTED ESTERS AND AMIDES OF FUMARIC ACID FOR NEUTRALISING MALODOR GIVAUDAN SA (CH) 2005-03-10 WO disclosed
EP-1148106-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LTD (JP) 2004-11-24 EP disclosed
US-6797280-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LIMITED (JP) 2004-09-28 US disclosed
EP-1148106-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION AND MOISTURE-PERMEABLE PRESSURE-SENSITIVE ADHESIVE TAPE, PRESSURE-SENSITIVE ADHESIVE DRUG COMPOSITION, AND PRESSURE-SENSITIVE ADHESIVE TAPE PREPARATION EACH CONTAINING THE COMPOSITION TEIJIN LIMITED (JP) 2001-10-24 EP disclosed