SCHEMBL7282326

SCHEMBL7282326

COc1cc2[nH]cc(CCCCN3CCCC(c4ccccc4)C3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL7288815 0.91 DRD2 (0.57) HTR1ADRD2
SCHEMBL11242128 0.89 SIGMAR1 (0.51) HTR1ASLC6A4HTR7KCNH2
SCHEMBL7284816 0.88 HTR1A (0.55) HTR1ADRD2
SCHEMBL7281809 0.88 HTR1A (0.63) HTR1A
SCHEMBL7288569 0.87 DRD2 (0.49) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL7290976 0.85 DRD2 (0.46) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL7291663 0.85 HTR1A (0.52) HTR1ADRD2DRD3SLC6A4HTR7
SCHEMBL7279846 0.84 HTR1A (0.60) HTR1ADRD2DRD4DRD3SLC6A4
SCHEMBL7281958 0.83 HTR1A (0.46) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL7282164 0.83 HTR1A (0.58) HTR1ADRD2DRD4DRD3SLC6A4

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
EP-0114603-A1 Indole derivatives MERCK PATENT GmbH (DE) 1984-08-01 — — EP disclosed
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