SCHEMBL6596582

SCHEMBL6596582

CCCCCn1c(N2CCCNCC2)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 5/20 0.66

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
Iodide SCHEMBL7628527 0.99 HTR3A (0.65) HTR3A
SCHEMBL17417624 0.92 HTR3A (0.73) HTR3A
SCHEMBL7432371 0.86 HTR3A (0.74) HTR3A
SCHEMBL6595864 0.85 HTR3A (0.62) HTR3A
SCHEMBL6593770 0.85 HTR3A (0.65) HTR3A
SCHEMBL7484664 0.84 HTR3A (0.61) HTR3A
SCHEMBL6599886 0.84 HTR3A (0.67) HTR3A
Iodide SCHEMBL7622185 0.84 HTR3A (0.64) HTR3A
SCHEMBL6598243 0.84 HTR3A (0.61) HTR3A
SCHEMBL7621226 0.84 HTR3A (0.63) HTR3A

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-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 — — EP disclosed
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