SCHEMBL4425686

SCHEMBL4425686

CCc1ccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)nc2c1CC

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.73
DRD3 P35462 2/20 0.47
HRH3 Q9Y5N1 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL605406 0.86 HRH4 (0.71) HRH4DRD3HRH3PRKAB2PRKAG1
SCHEMBL4421411 0.86 HRH4 (0.70) HRH4DRD3HRH3PRKAB2PRKAG1
SCHEMBL605118 0.84 HRH4 (1.00) HRH4HRH3
SCHEMBL603386 0.83 HRH4 (0.83) HRH4HRH3
SCHEMBL605157 0.83 HRH4 (1.00) HRH4DRD3HRH3PRKAB2PRKAG1
SCHEMBL602184 0.83 HRH4 (0.80) HRH4DRD3HRH3
SCHEMBL13341051 0.82 HRH4 (0.82) HRH4DRD3
SCHEMBL606394 0.81 HRH4 (1.00) HRH4HRH3
SCHEMBL603489 0.81 HRH4 (1.00) HRH4DRD3HRH3
SCHEMBL2164915 0.81 HRH4 (0.86) HRH4DRD3HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673348-B1 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed