SCHEMBL4392183

SCHEMBL4392183

Cn1c(SCCCN2CCc3ccc(S(=O)(=O)N4CCC5CCCCC5C4)cc3C2)nnc1-c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.55
DRD3 P35462 20/20 0.55
KCNH2 Q12809 15/20 0.55

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
SCHEMBL4562741 0.89 DRD3 (0.53) DRD2DRD3KCNH2
SCHEMBL4395503 0.86 DRD3 (0.50) DRD2DRD3KCNH2
SCHEMBL4386866 0.78 DRD3 (0.55) DRD2DRD3KCNH2
SCHEMBL4392626 0.75 DRD3 (0.58) DRD2DRD3KCNH2
SCHEMBL4385475 0.75 DRD3 (0.60) DRD2DRD3KCNH2
SCHEMBL4394660 0.75 DRD3 (0.60) DRD2DRD3KCNH2
SCHEMBL4395670 0.74 DRD3 (0.56) DRD2DRD3KCNH2
SCHEMBL4386303 0.74 DRD3 (0.55) DRD2DRD3KCNH2
SCHEMBL4702436 0.73 DRD2 (0.55) DRD2DRD3KCNH2
SCHEMBL4384725 0.73 DRD3 (0.47) DRD2DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144405-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-11-25 EP disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed