SCHEMBL10414268

SCHEMBL10414268

O=S(=O)(Oc1ccc2c(CSCCN3CCC(c4ccccc4)CC3)c[nH]c2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MMP3 P08254 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 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
SCHEMBL10413755 0.93 DRD2 (0.45) DRD4DRD2DRD3HTR7PARP1
SCHEMBL10413621 0.90 DRD2 (0.45) DRD4DRD2DRD3MAOAMAOB
SCHEMBL10412473 0.86 KCNH2 (0.46) DRD4DRD2DRD3HTR7HTR6
SCHEMBL10648787 0.85 DRD2 (0.47) DRD4DRD2DRD3MAOAMAOB
SCHEMBL10412923 0.84 SLC18A3 (0.47) DRD4DRD2DRD3MAOAMAOB
SCHEMBL10413270 0.83 DRD2 (0.45) DRD4DRD2DRD3HTR7KCNH2
SCHEMBL10413250 0.83 DRD2 (0.45) DRD4DRD2DRD3HTR7KCNH2
SCHEMBL10414157 0.82 HTR6 (0.42) DRD4DRD2DRD3HTR7HTR6
SCHEMBL10414220 0.82 DRD2 (0.43) DRD4DRD2DRD3MMP3HTR7
SCHEMBL10412510 0.81 DRD2 (0.45) DRD4DRD2DRD3HTR7HTR6

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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