SCHEMBL7281710

SCHEMBL7281710

Clc1ccc(C2CCCN(CCCCc3c[nH]c4ccccc34)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.55
▸ DRD2 P14416 3/20 0.53
▸ HTR7 P34969 3/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ HRH1 P35367 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ HTR6 P50406 1/20 0.50
▸ ACHE P22303 1/20 0.48

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
SCHEMBL7279846 0.91 HTR1A (0.60) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7282164 0.90 HTR1A (0.58) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7288835 0.90 HTR1A (0.55) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7278140 0.90 HTR1A (0.55) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7289056 0.90 HTR1A (0.57) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7280006 0.90 HTR1A (0.57) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7290885 0.89 DRD2 (0.53) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL11223416 0.88 HTR1A (0.62) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7281848 0.88 HTR1A (0.64) HTR1ADRD2HTR7SLC6A4HRH1
SCHEMBL7288031 0.88 HTR1A (0.54) HTR1ADRD2HTR7SLC6A4HRH1

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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