SCHEMBL7848908

SCHEMBL7848908

c1ccc(CN2CCc3cc4onc(CCCC5CCN(Cc6ccccc6)CC5)c4cc3CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 20/20 0.74
BCHE P06276 4/20 0.64

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
Hydrochloric Acid SCHEMBL7837928 0.99 ACHE (0.72) ACHEBCHE
Hydrochloric Acid SCHEMBL7847861 0.90 ACHE (0.65) ACHEBCHE
Hydrochloric Acid SCHEMBL7850468 0.86 ACHE (0.60) ACHEBCHE
SCHEMBL6986882 0.85 ACHE (1.00) ACHEBCHE
SCHEMBL7850500 0.85 ACHE (0.58) ACHEBCHE
SCHEMBL7850897 0.84 ACHE (0.63) ACHEBCHE
Hydrochloric Acid SCHEMBL7849059 0.84 ACHE (0.57) ACHEBCHE
Hydrochloric Acid SCHEMBL7846894 0.84 ACHE (0.62) ACHEBCHE
SCHEMBL9411346 0.84 ACHE (0.77) ACHEBCHE
SCHEMBL2402320 0.83 ACHE (0.90) ACHEBCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP claimed
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed
JP-2000186091-A CONDENSED BENZIMIDAZOLE DERIVATIVE, ITS PRODUCTION AND USE THEREOF TAKEDA CHEM IND LTD 2000-07-04 JP disclosed