SCHEMBL269966

SCHEMBL269966

COC(=O)c1nc(C)sc1-c1ccc(C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ PKM P14618 3/20 0.52
▸ RCE1 Q9Y256 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HCRTR1 O43613 14/20 0.44
▸ HCRTR2 O43614 14/20 0.44
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 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
SCHEMBL980857 0.88 KDM4E (0.49) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL986683 0.87 KDM4E (0.51) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1964753 0.86 KDM4E (0.70) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2056664 0.84 KDM4E (0.48) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL271015 0.84 ALDH1A1 (0.56) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL270496 0.84 ALPL (0.47) ALDH1A1HCRTR1HCRTR2LMNAMAPT
SCHEMBL924935 0.83 KDM4E (0.74) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL496218 0.83 KDM4E (0.50) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL270026 0.82 KDM4E (0.53) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL271104 0.81 KDM4E (0.53) KDM4EPKMRCE1ALDH1A1SMN1; SMN2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 — — EP disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
US-8288429-B2 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 — — CN disclosed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 — — EP disclosed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 — — US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 — — US disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 — — WO disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 — — WO disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 — — WO disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 — — WO disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 — — WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 — — WO disclosed
Send feedback