SCHEMBL7288453

SCHEMBL7288453

COc1cccc(C2CCCN(CCCc3c[nH]c4ccccc34)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.63
▸ DRD2 P14416 1/20 0.60
▸ HTR2A P28223 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
SCHEMBL7289134 0.97 HTR1A (0.59) HTR1ADRD2
SCHEMBL7280080 0.96 HTR1A (0.58) HTR1ADRD2
SCHEMBL11203289 0.94 DRD2 (0.62) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL11115419 0.93 DRD2 (0.61) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL11114894 0.93 DRD2 (0.60) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL11114891 0.93 DRD2 (0.60) HTR1ADRD2HTR2A
SCHEMBL7278496 0.90 HTR1A (0.61) HTR1ADRD2HTR2A
SCHEMBL7288259 0.90 DRD2 (0.59) HTR1ADRD2HTR2A
SCHEMBL7281117 0.89 HTR1A (0.63) HTR1ADRD2HTR2A
SCHEMBL7282288 0.87 HTR1A (0.59) HTR1ADRD2HTR2A

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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