SCHEMBL14958732

SCHEMBL14958732

CCCN(CC)CCCCN(CCC)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.38
DRD3 P35462 13/20 0.37
DRD4 P21917 4/20 0.37

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
SCHEMBL1793781 0.84 DRD3 (0.43) DRD2DRD3DRD4
SCHEMBL2693371 0.84 DRD3 (0.43) DRD2DRD3DRD4
SCHEMBL1793783 0.84 DRD3 (0.43) DRD2DRD3DRD4
SCHEMBL11807764 0.80 ADH1C (0.47) DRD2DRD3
SCHEMBL6680792 0.80 GNAI3 (0.37) DRD2DRD3DRD4
SCHEMBL3374356 0.73 DRD3 (0.44) DRD2DRD3DRD4
SCHEMBL3376550 0.73 DRD3 (0.50) DRD2DRD3DRD4
SCHEMBL24220857 0.71
SCHEMBL3490832 0.71
SCHEMBL8852104 0.71 SLC6A2 (0.43) DRD2DRD3DRD4

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-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed