SCHEMBL3649838

SCHEMBL3649838

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.46
HCRTR2 O43614 19/20 0.46
ALOX5 P09917 1/20 0.41

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
SCHEMBL3646179 0.91 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3646993 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3646143 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3641324 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3645490 0.87 ALDH1A1 (0.49) HCRTR1HCRTR2
SCHEMBL3644608 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3649840 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3642143 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3648348 0.86 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3640326 0.86 HCRTR1 (0.53) 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