SCHEMBL3649840

SCHEMBL3649840

Cc1nc(C(=O)N(CCN)C2CC2)c(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

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
SCHEMBL3646184 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3646996 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3646145 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3641325 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3645494 0.87 ALDH1A1 (0.49) HCRTR1HCRTR2
SCHEMBL3642145 0.87 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3644609 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3649838 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3648351 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3640331 0.86 HCRTR1 (0.51) HCRTR1HCRTR2

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 6 patents. 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 claimed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed