SCHEMBL10413746

SCHEMBL10413746

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.40

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
SCHEMBL10414153 0.94 DRD2 (0.43) HTR1AHTR1DHTR1BDRD2DRD4
SCHEMBL10412992 0.92 SLC18A3 (0.47) HTR1DDRD2DRD4DRD3SIGMAR1
SCHEMBL10650004 0.91 DRD2 (0.47) HTR1ADRD2DRD4DRD3SIGMAR1
SCHEMBL10414224 0.91 SIGMAR1 (0.46) HTR1ADRD2DRD4DRD3SIGMAR1
SCHEMBL10414180 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3
SCHEMBL10413272 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3
SCHEMBL10413753 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3
SCHEMBL10412507 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3
SCHEMBL10413237 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3
SCHEMBL10412539 0.90 HTR1A (0.51) HTR1AHTR1BDRD2DRD4DRD3

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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