SCHEMBL10413250

SCHEMBL10413250

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR1A P08908 3/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR2A P28223 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
SCHEMBL10413270 0.92 DRD2 (0.45) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL10413755 0.90 DRD2 (0.45) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL10414152 0.86 HTR1A (0.52) HTR1ASLC6A4HTR7KCNH2
SCHEMBL10412992 0.86 SLC18A3 (0.47) DRD2DRD4DRD3SIGMAR1
SCHEMBL10413746 0.85 HTR1A (0.48) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL10413621 0.85 DRD2 (0.45) DRD2DRD4DRD3
SCHEMBL10650004 0.85 DRD2 (0.47) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL10414153 0.85 DRD2 (0.43) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL10413747 0.84 HTR1B (0.48) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10412566 0.84 DRD2 (0.46) DRD2DRD4DRD3HTR1ASIGMAR1

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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