SCHEMBL10412550

SCHEMBL10412550

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ HTR2A P28223 3/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ MMP3 P08254 1/20 0.37

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
SCHEMBL10414220 0.90 DRD2 (0.43) DRD2DRD4DRD3HTR2ASIGMAR1
SCHEMBL10413620 0.86 DRD2 (0.41) DRD2DRD4DRD3SLC18A3TACR1
SCHEMBL10413585 0.86 SLC18A3 (0.47) DRD2DRD4DRD3HTR2ACARM1
SCHEMBL10413253 0.85 SIGMAR1 (0.47) DRD2DRD4DRD3HTR2ASIGMAR1
SCHEMBL10413270 0.81 DRD2 (0.45) DRD2DRD4DRD3HTR2ASIGMAR1
SCHEMBL10413621 0.81 DRD2 (0.45) DRD2DRD4DRD3SLC18A3
SCHEMBL10413887 0.77 DRD2 (0.68) DRD2DRD4DRD3HTR2A
SCHEMBL10414157 0.76 HTR6 (0.42) DRD2DRD4DRD3
SCHEMBL10412514 0.76 SLC6A2 (0.47) DRD2DRD4DRD3HTR2ASIGMAR1
SCHEMBL10413250 0.76 DRD2 (0.45) DRD2DRD4DRD3HTR2ASIGMAR1

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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