SCHEMBL4381503

SCHEMBL4381503

Cn1c(SCCCN2CCc3cc(Cl)ccc3C2)nnc1-c1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.56
DRD2 P14416 18/20 0.56
KCNH2 Q12809 17/20 0.56

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
SCHEMBL4390849 0.87 DRD3 (0.62) DRD3DRD2KCNH2
SCHEMBL4387226 0.87 DRD3 (0.61) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL7205784 0.86 DRD3 (0.60) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL7201490 0.86 DRD3 (0.61) DRD3DRD2KCNH2
SCHEMBL4386717 0.83 DRD3 (0.61) DRD3DRD2KCNH2
SCHEMBL4702422 0.82 DRD3 (0.47) DRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL7203245 0.82 DRD3 (0.60) DRD3DRD2KCNH2
SCHEMBL4384625 0.81 DRD3 (0.45) DRD3DRD2KCNH2
SCHEMBL4704375 0.80 DRD3 (0.49) DRD3DRD2KCNH2
SCHEMBL4397040 0.77 DRD3 (0.62) DRD3DRD2KCNH2

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