SCHEMBL315541

SCHEMBL315541

[CH2]NC1CCN(C(C)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.56
EPHX1 P07099 4/20 0.56
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL3317493 0.80 EPHX2 (0.58) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL2888489 0.80 EPHX2 (0.58) EPHX2EPHX1MAPTCYP1A2TDP1
Hydrochloric Acid SCHEMBL11313043 0.78 EPHX2 (0.56) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL9893075 0.78 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL13852062 0.78 EPHX2 (0.56) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL12850168 0.78 EPHX2 (0.56) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL14175034 0.78 EPHX2 (0.56) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL25078298 0.78 EPHX2 (0.51) EPHX2EPHX1MAPTCYP1A2TDP1
SCHEMBL2102575 0.78 EPHX2 (0.51) EPHX2EPHX1MAPT
Hydrochloric Acid SCHEMBL4163207 0.77 EPHX2 (0.55) EPHX2EPHX1MAPTCYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874031-B Sirtuin-modulating imidazothiazole compounds SIRTRIS PHARMACEUTICALS INC 2013-02-20 CN claimed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
CN-103833775-A SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS INC 2014-06-04 CN disclosed
CN-103145738-A Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC 2013-06-12 CN disclosed
CN-101874031-B Sirtuin-modulating imidazothiazole compounds SIRTRIS PHARMACEUTICALS INC 2013-02-20 CN disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
CN-101918371-A Amide derivatives as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2010-12-15 CN disclosed
CN-101910184-A Solubility thiazole and pyridine SIRTRIS PHARMACEUTICALS INC 2010-12-08 CN disclosed
CN-101874031-A Sirtuin-modulating imidazothiazole compounds SIRTRIS PHARMACEUTICALS INC 2010-10-27 CN disclosed
CN-101801981-A Sirtuin-modulating thiazolopyridine compounds SIRTRIS PHARMACEUTICALS INC 2010-08-11 CN disclosed
CN-101316853-A Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-12-03 CN disclosed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101277963-A Benzimidazole derivatives as SIRTUIN modulators SIRTIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
CN-101277965-A Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed