SCHEMBL7279846

SCHEMBL7279846

c1ccc(C2CCCN(CCCCc3c[nH]c4ccccc34)C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.60
▸ DRD2 P14416 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ HTR2A P28223 2/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ HRH1 P35367 1/20 0.57

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
SCHEMBL7282164 0.99 HTR1A (0.58) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL7281848 0.97 HTR1A (0.64) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL7289056 0.91 HTR1A (0.57) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL7278140 0.91 HTR1A (0.55) HTR1ADRD2DRD3HTR2ASLC6A4
SCHEMBL7280006 0.91 HTR1A (0.57) HTR1ADRD2DRD3HTR2ASLC6A4
SCHEMBL7281710 0.91 HTR1A (0.55) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL7288835 0.91 HTR1A (0.55) HTR1ADRD2DRD3HTR2ASLC6A4
SCHEMBL7292092 0.89 HTR1A (0.57) HTR1ADRD2DRD3HTR2ASLC6A4
SCHEMBL7282288 0.89 HTR1A (0.59) HTR1ADRD2DRD3HTR2AHTR7
SCHEMBL7287358 0.89 HTR1A (0.52) HTR1ADRD2DRD3HTR2ASLC6A4

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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