SCHEMBL7289580

SCHEMBL7289580

COc1ccccc1C1CCCN(CCCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.55
▸ HTR2A P28223 3/20 0.50
▸ DRD2 P14416 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ HTR6 P50406 1/20 0.49

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
SCHEMBL6990697 0.89 HTR1A (0.58) HTR1ADRD2SLC6A4
SCHEMBL7280116 0.87 HTR1A (0.55) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7281340 0.86 HTR1A (0.56) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7291663 0.86 HTR1A (0.52) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7281567 0.85 HTR1A (0.55) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7278753 0.85 HTR1A (0.55) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7282288 0.84 HTR1A (0.59) HTR1AHTR2ADRD2HTR7DRD3
Hydrochloric Acid SCHEMBL7288449 0.83 HTR1A (0.58) HTR1AHTR2ADRD2HTR7DRD3
SCHEMBL7279846 0.82 HTR1A (0.60) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7289134 0.82 HTR1A (0.59) HTR1ADRD2

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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