SCHEMBL22102746

SCHEMBL22102746

CCCC(N)c1cccc(Br)c1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.45
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.30

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 SCHEMBL16397363 0.98 CFD (0.44) CFDMAOAMAOB
Hydrochloric Acid SCHEMBL17764464 0.81 CFD (0.41) CFDMAOAMAOB
Hydrochloric Acid SCHEMBL17764463 0.81 CFD (0.41) CFDMAOAMAOB
SCHEMBL21776258 0.81 TSHR (0.32) CFD
SCHEMBL16396691 0.80 CFD (0.38) CFDMAOAMAOB
SCHEMBL20844826 0.79 CFD (0.45) CFD
Hydrochloric Acid SCHEMBL16397791 0.79 CFD (0.37) CFD
SCHEMBL23577593 0.76 CYP1A2 (0.44) CFDMAOAMAOB
SCHEMBL22102509 0.76 CYP1A2 (0.44) CFDMAOAMAOB
SCHEMBL3680376 0.75 AOC3 (0.38) CFDMAOAAOC3

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-3478692-B1 OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2020-06-17 EP disclosed