SCHEMBL10413621

SCHEMBL10413621

CS(=O)(=O)Oc1ccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.37
▸ AVPR1A P37288 1/20 0.36

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
SCHEMBL10413270 0.93 DRD2 (0.45) DRD2DRD3DRD4
SCHEMBL10414268 0.90 DRD4 (0.45) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10412923 0.87 SLC18A3 (0.47) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10648787 0.86 DRD2 (0.47) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10414161 0.86 DRD2 (0.47) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10413250 0.85 DRD2 (0.45) DRD2DRD3DRD4
SCHEMBL10413755 0.83 DRD2 (0.45) DRD2DRD3DRD4
SCHEMBL10412550 0.81 DRD2 (0.44) DRD2DRD3DRD4SLC18A3
SCHEMBL10413620 0.81 DRD2 (0.41) DRD2DRD3DRD4SLC18A3
SCHEMBL10648783 0.81 DRD2 (0.49) DRD2DRD3DRD4SLC18A3AVPR1A

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
US-4916143-A Hydroxyindole esters MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 — — US disclosed
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