SCHEMBL11089375

SCHEMBL11089375

Clc1ccc2c(c1)oc1cc(OCCN3CCCCC3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.66
HRH3 Q9Y5N1 7/20 0.66
BCHE P06276 2/20 0.60
ACHE P22303 2/20 0.60
XDH P47989 4/20 0.58
LTA4H P09960 1/20 0.57
PTGS2 P35354 1/20 0.57
SIGMAR1 Q99720 2/20 0.55

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
SCHEMBL1799541 0.92 MAOB (0.70) MAOBHRH3BCHEACHEXDH
SCHEMBL1801993 0.91 MAOB (0.68) MAOBHRH3BCHEACHEXDH
SCHEMBL1793974 0.88 MAOB (0.64) MAOBHRH3BCHEACHEXDH
SCHEMBL1795429 0.87 MAOB (0.65) MAOBHRH3BCHEACHEXDH
Hydrochloric Acid SCHEMBL28896614 0.86 MAOB (0.63) MAOBHRH3BCHEACHEXDH
SCHEMBL1794105 0.85 MAOB (0.62) MAOBHRH3BCHEACHEXDH
SCHEMBL1796613 0.85 XDH (0.75) MAOBHRH3BCHEACHEXDH
SCHEMBL1794949 0.84 XDH (0.78) MAOBHRH3BCHEACHEXDH
Hydrochloric Acid SCHEMBL28435211 0.84 MAOB (0.61) MAOBHRH3BCHEACHEXDH
SCHEMBL1794883 0.84 XDH (0.74) MAOBHRH3XDHSIGMAR1

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-0057362-B1 DIBENZOFURANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed
US-4376776-A Dibenzofuran derivatives and their use for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1983-03-15 US disclosed
EP-0057362-A1 Dibenzofurane derivatives, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1982-08-11 EP disclosed