SCHEMBL10648649

SCHEMBL10648649

O=C(O)Oc1ccc2c(CSCCN3CCC(c4cccc(O)c4)CC3)c[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.43
▸ DRD3 P35462 5/20 0.39
▸ DRD4 P21917 5/20 0.39
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ HTR1A P08908 3/20 0.37
▸ DRD1 P21728 3/20 0.37
▸ DRD5 P21918 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10648539 0.93 DRD2 (0.43) DRD2DRD3DRD4
SCHEMBL10648787 0.92 DRD2 (0.47) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10648282 0.91 DRD3 (0.46) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL10650789 0.91 DRD2 (0.39) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10412923 0.88 SLC18A3 (0.47) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10646279 0.86 MAOB (0.45) DRD2DRD3DRD4MAOBMAOA
SCHEMBL10650004 0.85 DRD2 (0.47) DRD2DRD3DRD4HTR1A
SCHEMBL9582464 0.85 DRD2 (0.44) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL11013556 0.85 SIGMAR1 (0.46) DRD2DRD3DRD4
SCHEMBL10648604 0.84 TRPV1 (0.39) DRD2DRD3DRD4HTR1A

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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