SCHEMBL10412980

SCHEMBL10412980

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ DRD2 P14416 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ SLC18A3 Q16572 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 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
SCHEMBL10412925 0.94 DRD2 (0.41) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL10412992 0.92 SLC18A3 (0.47) HTR1DDRD2DRD4DRD3SIGMAR1
SCHEMBL10650004 0.91 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1SLC18A3
SCHEMBL10413746 0.90 HTR1A (0.48) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL10414153 0.89 DRD2 (0.43) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL10413339 0.89 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1SLC18A3
SCHEMBL10414224 0.87 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412977 0.87 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10413623 0.86 HTR1D (0.53) HTR1DHTR1BHTR1A
SCHEMBL10414180 0.86 HTR1A (0.51) HTR1BDRD2DRD4DRD3SIGMAR1

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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