SCHEMBL3649866

SCHEMBL3649866

Cc1nc(C(=O)N(CCN)CC2CC2)c(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.45
HCRTR2 O43614 19/20 0.45

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
SCHEMBL3649861 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3647461 0.89 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3644169 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3644609 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3640642 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3645338 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3648405 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3648021 0.83 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL3639281 0.81 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL3648343 0.81 HCRTR1 (0.47) 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