SCHEMBL10412923

SCHEMBL10412923

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ TACR1 P25103 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ OPRM1 P35372 1/20 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
SCHEMBL10648787 0.95 DRD2 (0.47) SLC18A3DRD2DRD4DRD3MAOB
SCHEMBL10412992 0.93 SLC18A3 (0.47) SLC18A3DRD2DRD4DRD3MAOB
SCHEMBL10650789 0.89 DRD2 (0.39) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10650004 0.88 DRD2 (0.47) SLC18A3DRD2DRD4DRD3
SCHEMBL10648649 0.88 DRD2 (0.43) DRD2DRD4DRD3MAOBMAOA
SCHEMBL10413621 0.87 DRD2 (0.45) SLC18A3DRD2DRD4DRD3MAOB
SCHEMBL10413001 0.85 MAOB (0.52) SLC18A3DRD2DRD4DRD3MAOB
SCHEMBL10413746 0.85 HTR1A (0.48) SLC18A3DRD2DRD4DRD3OPRM1
SCHEMBL10412980 0.85 HTR1D (0.47) SLC18A3DRD2DRD4DRD3MAOB
SCHEMBL10648783 0.85 DRD2 (0.49) SLC18A3DRD2DRD4DRD3AVPR1A

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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