SCHEMBL10414224

SCHEMBL10414224

O=C(Cc1ccccc1)Oc1ccc2[nH]cc(CSCCN3CCC(c4ccccc4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.46
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.42
▸ HTR1A P08908 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ S1PR1 P21453 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
SCHEMBL10413746 0.91 HTR1A (0.48) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10650004 0.91 DRD2 (0.47) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10414153 0.90 DRD2 (0.43) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10412992 0.90 SLC18A3 (0.47) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10413339 0.88 DRD2 (0.45) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10412980 0.87 HTR1D (0.47) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10414180 0.86 HTR1A (0.51) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10413753 0.86 HTR1A (0.51) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10413237 0.86 HTR1A (0.51) SIGMAR1DRD2DRD4DRD3BCHE
SCHEMBL10412507 0.86 HTR1A (0.51) SIGMAR1DRD2DRD4DRD3BCHE

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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