SCHEMBL10412925

SCHEMBL10412925

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ SLC18A3 Q16572 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TACR1 P25103 1/20 0.38

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
SCHEMBL10412980 0.94 HTR1D (0.47) DRD2DRD4DRD3SIGMAR1HTR1D
SCHEMBL10412992 0.89 SLC18A3 (0.47) DRD2DRD4DRD3SIGMAR1HTR1D
SCHEMBL10413746 0.89 HTR1A (0.48) DRD2DRD4DRD3SIGMAR1HTR1D
SCHEMBL10650004 0.88 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1SLC18A3
SCHEMBL10414153 0.88 DRD2 (0.43) DRD2DRD4DRD3SIGMAR1HTR1D
SCHEMBL10413339 0.86 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1SLC18A3
SCHEMBL10414224 0.85 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414180 0.84 HTR1A (0.51) DRD2DRD4DRD3SIGMAR1HTR1B
SCHEMBL10413272 0.84 HTR1A (0.51) DRD2DRD4DRD3SIGMAR1HTR1B
SCHEMBL10413753 0.84 HTR1A (0.51) DRD2DRD4DRD3SIGMAR1HTR1B

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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