SCHEMBL4385575

SCHEMBL4385575

Cc1ncsc1-c1nnc(SCCCN2CCc3ccc(S(=O)(=O)Nc4ccccc4)cc3C2)n1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.45
DRD2 P14416 13/20 0.45
KCNH2 Q12809 13/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.40
HRH1 P35367 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
SCHEMBL4392647 0.90 DRD3 (0.43) DRD3DRD2KCNH2
SCHEMBL4383336 0.89 DRD3 (0.46) DRD3DRD2KCNH2HRH1
SCHEMBL4388088 0.88 DRD3 (0.55) DRD3DRD2KCNH2HRH1
SCHEMBL4381511 0.86 DRD3 (0.46) DRD3DRD2KCNH2HRH1
SCHEMBL4384725 0.84 DRD3 (0.47) DRD3DRD2KCNH2HRH1
SCHEMBL4386426 0.83 DRD3 (0.51) DRD3DRD2KCNH2HRH1
SCHEMBL4384802 0.83 DRD3 (0.54) DRD3DRD2KCNH2
SCHEMBL4382325 0.80 DRD3 (0.53) DRD3DRD2KCNH2HRH1
SCHEMBL4387200 0.76 DRD3 (0.58) DRD3DRD2KCNH2HRH1
SCHEMBL4392618 0.76 DRD3 (0.57) DRD3DRD2KCNH2HRH1

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