SCHEMBL9411389

SCHEMBL9411389

Nc1ccc2onc(CCC3CCNCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 18/20 0.51
▸ SLC6A4 P31645 1/20 0.39
▸ BCHE P06276 3/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36

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 SCHEMBL9411401 0.99 ACHE (0.50) ACHESLC6A4BCHEHRH3
Hydrochloric Acid SCHEMBL9411349 0.89 ACHE (0.61) ACHEBCHE
SCHEMBL9411327 0.77 ACHE (0.84) ACHEBCHE
Hydrochloric Acid SCHEMBL9411201 0.73 ACHE (0.63) ACHEBCHE
SCHEMBL7838860 0.71 HRH3 (0.42) ACHESLC6A4BCHEHRH3
SCHEMBL13596113 0.69 ACHE (0.49) ACHESLC6A4BCHE
SCHEMBL27410823 0.68 GFER (0.46) SLC6A4HRH3
SCHEMBL955864 0.68 ACHE (1.00) ACHEBCHE
SCHEMBL4125706 0.67 ACHE (0.41) ACHEBCHE
SCHEMBL6161760 0.67 ACHE (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 — — EP disclosed
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