SCHEMBL14715570

SCHEMBL14715570

N#Cc1ccc(OC2CCN(CC[C@H]3CC[C@H](NC(=O)Oc4cccs4)CC3)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.47
DRD3 P35462 12/20 0.47
GPR6 P46095 3/20 0.43
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 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
SCHEMBL3078171 0.88 DRD2 (0.54) DRD2DRD3PRKAB2PRKAG1PRKAA2
SCHEMBL14715595 0.88 DRD2 (0.44) DRD2DRD3
SCHEMBL3959409 0.81 GPR6 (0.44) DRD2DRD3GPR6
SCHEMBL14715573 0.80 DRD2 (0.49) DRD2DRD3
SCHEMBL14715656 0.79 DRD2 (0.53) DRD2DRD3
SCHEMBL14715744 0.77 HRH3 (0.44) GPR6
SCHEMBL3075391 0.77 HRH3 (0.44) GPR6
SCHEMBL3084647 0.76 DRD2 (0.55) DRD2DRD3
SCHEMBL3082997 0.75 DRD2 (0.60) DRD2DRD3
SCHEMBL4991586 0.74 DRD2 (0.64) DRD2DRD3

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-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed