SCHEMBL4670784

SCHEMBL4670784

NC(=O)N1CCC(NC(=O)[CH]Cc2cn(Cc3ccccc3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
TRHR P34981 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
KCNH2 Q12809 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
POLB P06746 1/20 0.39
RBP4 P02753 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL3136194 0.71 SIGMAR1 (0.44) SIGMAR1PRKAA2
SCHEMBL4670787 0.71 TRHR (0.43) SIGMAR1TRHRDRD2DRD4DRD3
SCHEMBL6164881 0.68 LTA4H (0.49) SIGMAR1DRD2DPP7KCNH2DRD4
SCHEMBL5230894 0.66 SIGMAR1 (0.74) SIGMAR1DRD2DPP7KCNH2DRD4
SCHEMBL7399708 0.65 KDM4C (0.51) POLBRBP4
SCHEMBL20925176 0.65 KDM4C (0.48) POLBRBP4
SCHEMBL17152266 0.65 SIGMAR1 (0.56) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL5717571 0.65 CPB2 (0.47) TRHRPOLBRBP4
Hydrochloric Acid SCHEMBL8762068 0.64 KDM4C (0.50) RBP4
SCHEMBL2687705 0.64 EPHX2 (0.62)

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-1903052-A2 APJ receptor ligands and uses thereof Faust Pharmaceuticals SA (FR) 2008-03-26 EP disclosed