SCHEMBL27715399

SCHEMBL27715399

NC1=CCC(Br)(c2ccccc2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.31
MAOA P21397 4/20 0.31
PNMT P11086 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL18311446 0.79
SCHEMBL530432 0.79 HDAC4 (0.31)
SCHEMBL15103023 0.78 MAOB (0.38) MAOBMAOAPNMTTAAR1
SCHEMBL16872859 0.78 GAA (0.31)
SCHEMBL9951675 0.78
SCHEMBL11819984 0.76
Benzene SCHEMBL27647629 0.76 PNMT (0.35) MAOBMAOAPNMTTAAR1
SCHEMBL27715518 0.76 MAOB (0.31) MAOBMAOAPNMTTAAR1
SCHEMBL5930802 0.76 PNMT (0.35) MAOBMAOAPNMTTAAR1
SCHEMBL1477275 0.74 MAOB (0.31) MAOBMAOAPNMTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133016-B Method for producing substituted biphenyls BASF AG 2010-06-02 CN disclosed
CN-101133016-A Method for producing substituted biphenyls BASF AG (DE) 2008-02-27 CN disclosed