SCHEMBL4590992

SCHEMBL4590992

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.53
EPHX1 P07099 4/20 0.53
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL771581 0.84 EPHX2 (0.53) EPHX2EPHX1
SCHEMBL22702033 0.79 EPHX2 (0.49) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL2888489 0.77 EPHX2 (0.58) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL3317493 0.77 EPHX2 (0.58) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL21746854 0.77 EPHX2 (0.46) EPHX2EPHX1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL11313043 0.75 EPHX2 (0.56) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL13852062 0.75 EPHX2 (0.56) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL315541 0.75 EPHX2 (0.56) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL12850168 0.75 EPHX2 (0.56) EPHX2EPHX1KDM1AMAOAMAOB
SCHEMBL14175034 0.75 EPHX2 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910384-A1 IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed