SCHEMBL10650004

SCHEMBL10650004

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SLC18A3 Q16572 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ PARP1 P09874 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
SCHEMBL10412992 0.95 SLC18A3 (0.47) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10648604 0.93 TRPV1 (0.39) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL10648787 0.93 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1SLC18A3
SCHEMBL10648539 0.92 DRD2 (0.43) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10413339 0.92 DRD2 (0.45) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10413746 0.91 HTR1A (0.48) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412980 0.91 HTR1D (0.47) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414153 0.91 DRD2 (0.43) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10414224 0.91 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1BCHE
SCHEMBL10412925 0.88 DRD2 (0.41) DRD2DRD4DRD3SIGMAR1BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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