SCHEMBL10646279

SCHEMBL10646279

O=C(O)Oc1ccc2c(CCCCN3CCC(c4cccc(O)c4)CC3)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ DRD2 P14416 5/20 0.44
▸ HTR1A P08908 5/20 0.44
▸ DRD1 P21728 5/20 0.44
▸ DRD4 P21917 5/20 0.44
▸ DRD5 P21918 5/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ MAOA P21397 1/20 0.44

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
SCHEMBL10652180 0.93 HTR1A (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL10652767 0.92 DRD2 (0.48) MAOBDRD2DRD4DRD3MAOA
SCHEMBL10647591 0.91 DRD4 (0.47) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10648427 0.90 MAOB (0.44) MAOB
SCHEMBL10413001 0.88 MAOB (0.52) MAOBDRD2HTR1ADRD4DRD3
SCHEMBL9582089 0.87 KDM4E (0.48) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10648649 0.86 DRD2 (0.43) MAOBDRD2HTR1ADRD1DRD4
SCHEMBL10647445 0.85 HTR1A (0.52) HTR1A
SCHEMBL9582681 0.84 HTR7 (0.53) —
SCHEMBL10646354 0.84 DRD4 (0.47) DRD2HTR1ADRD1DRD4DRD5

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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