SCHEMBL10413339

SCHEMBL10413339

O=C(Oc1ccc2[nH]cc(CSCCN3CCC(c4ccccc4)CC3)c2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ SLC18A3 Q16572 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
SCHEMBL10412977 0.94 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10650004 0.92 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412992 0.91 SLC18A3 (0.47) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412980 0.89 HTR1D (0.47) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10413746 0.89 HTR1A (0.48) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414224 0.88 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414153 0.88 DRD2 (0.43) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412925 0.86 DRD2 (0.41) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414179 0.86 HTR1A (0.51) HTR7
SCHEMBL10650001 0.86 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1ADRA2A

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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