SCHEMBL11288733

SCHEMBL11288733

Clc1ccc(C[N+]2(CCOc3ccc4c(c3)oc3cc(Cl)ccc34)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.42
▸ HRH3 Q9Y5N1 8/20 0.42
▸ ACHE P22303 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ PRKDC P78527 2/20 0.39
▸ AR P10275 1/20 0.38
▸ BCHE P06276 1/20 0.38

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 SCHEMBL11092182 0.99 MAOB (0.42) MAOBHRH3ACHEMAOAPRKDC
Bromide SCHEMBL11089271 0.93 MAOB (0.40) MAOBHRH3ACHEMAOAAR
Bromide SCHEMBL11090702 0.93 MAOB (0.39) MAOBHRH3ACHEMAOAPRKDC
Hydrochloric Acid SCHEMBL11094001 0.93 MAOB (0.41) MAOBHRH3ACHEMAOABCHE
Hydrochloric Acid SCHEMBL11096484 0.91 ACHE (0.41) MAOBHRH3ACHEMAOABCHE
Bromide SCHEMBL11186218 0.90 AR (0.40) MAOBHRH3ACHEMAOAAR
Bromide SCHEMBL11180051 0.90 MAOB (0.38) MAOBHRH3ACHEMAOAPRKDC
Bromide SCHEMBL11088035 0.88 MAPT (0.45) MAOBHRH3ACHEMAOA
Bromide SCHEMBL11171168 0.87 MAOB (0.42) MAOBHRH3ACHEMAOABCHE
Hydrochloric Acid SCHEMBL11180874 0.86 MAOB (0.41) MAOBHRH3ACHEPRKDCBCHE

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-0057362-A1 Dibenzofurane derivatives, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1982-08-11 — — EP disclosed
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