SCHEMBL10412924

SCHEMBL10412924

CC(=O)Oc1cccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.47
▸ TACR1 P25103 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HTR7 P34969 3/20 0.39

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
SCHEMBL10413585 0.86 SLC18A3 (0.47) SLC18A3TACR1DRD2DRD4DRD3
SCHEMBL10413620 0.86 DRD2 (0.41) SLC18A3TACR1DRD2DRD4DRD3
SCHEMBL10412929 0.85 SLC18A3 (0.48) SLC18A3TACR1SIGMAR1HTR7
SCHEMBL10414157 0.83 HTR6 (0.42) DRD2DRD4DRD3HTR7
SCHEMBL10412992 0.82 SLC18A3 (0.47) SLC18A3DRD2DRD4DRD3SIGMAR1
SCHEMBL10412923 0.82 SLC18A3 (0.47) SLC18A3TACR1DRD2DRD4DRD3
SCHEMBL10648787 0.78 DRD2 (0.47) SLC18A3TACR1DRD2DRD4DRD3
SCHEMBL10650004 0.78 DRD2 (0.47) SLC18A3DRD2DRD4DRD3SIGMAR1
SCHEMBL10413887 0.77 DRD2 (0.68) DRD2DRD4DRD3
SCHEMBL10413746 0.75 HTR1A (0.48) SLC18A3DRD2DRD4DRD3SIGMAR1

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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