SCHEMBL3645982

SCHEMBL3645982

Cc1nc(C(=O)N(CCN)CC2CC2)c(-c2ccccc2F)s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.47
HCRTR2 O43614 17/20 0.47
TSPO P30536 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MLYCD O95822 1/20 0.36
CRHR1 P34998 1/20 0.34

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
SCHEMBL3645979 0.89 HCRTR1 (0.46) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3640642 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3644169 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3642145 0.84 HCRTR1 (0.49) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3639281 0.82 HCRTR1 (0.42) HCRTR1HCRTR2MLYCDCRHR1
SCHEMBL3648343 0.82 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3648021 0.82 HCRTR1 (0.41) HCRTR1HCRTR2CRHR1
SCHEMBL3649866 0.81 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3641345 0.80 HCRTR1 (0.41) HCRTR1HCRTR2CRHR1
SCHEMBL3647461 0.80 HCRTR1 (0.41) 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