SCHEMBL10414220

SCHEMBL10414220

O=S(=O)(Oc1cccc2[nH]cc(CSCCN3CCC(c4ccccc4)CC3)c12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A2 P23975 4/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ HTR6 P50406 5/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ SIGMAR1 Q99720 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
SCHEMBL10412550 0.90 DRD2 (0.44) DRD2DRD4DRD3HTR2AMMP3
SCHEMBL10414157 0.86 HTR6 (0.42) DRD2DRD4DRD3HTR6KCNH2
SCHEMBL10412514 0.86 SLC6A2 (0.47) DRD2DRD4DRD3SLC6A2HTR2A
SCHEMBL10413585 0.83 SLC18A3 (0.47) DRD2DRD4DRD3HTR2ASIGMAR1
SCHEMBL10413755 0.82 DRD2 (0.45) DRD2DRD4DRD3HTR6KCNH2
SCHEMBL10414268 0.82 DRD4 (0.45) DRD2DRD4DRD3HTR6KCNH2
SCHEMBL10413278 0.80 SIGMAR1 (0.42) DRD2DRD4DRD3SLC6A2HTR2A
SCHEMBL10413887 0.77 DRD2 (0.68) DRD2DRD4DRD3HTR2A
SCHEMBL10413620 0.76 DRD2 (0.41) DRD2DRD4DRD3HTR6KCNH2
SCHEMBL10413253 0.76 SIGMAR1 (0.47) DRD2DRD4DRD3SLC6A2HTR2A

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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