SCHEMBL9050669

SCHEMBL9050669

O=C1O[C@@H](CO)CN1c1cc2c(Br)cccc2s1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CALML3 P27482 6/20 0.41
SLC9A1 P19634 1/20 0.35
GRM2 Q14416 5/20 0.35
F10 P00742 1/20 0.33

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
SCHEMBL9049457 0.84 MAOA (0.46) MAOAMAOBCALML3F10
SCHEMBL9047854 0.82 GRM2 (0.38) MAOAMAOBSLC9A1GRM2
SCHEMBL9048647 0.82 NLRP3 (0.38) MAOAMAOBGRM2
SCHEMBL9047627 0.78 MAOA (0.44) MAOAMAOBCALML3GRM2F10
SCHEMBL8867980 0.71 MAOB (0.52) MAOAMAOBCALML3GRM2F10
SCHEMBL9077363 0.69 SLC9A1 (0.36) SLC9A1
SCHEMBL851157 0.68 MAOA (0.66) MAOAMAOBCALML3GRM2
SCHEMBL851156 0.68 MAOA (0.66) MAOAMAOBCALML3GRM2
SCHEMBL8801477 0.67 MAOA (0.49) MAOAMAOBCALML3GRM2
SCHEMBL412168 0.67 MAOA (0.58) MAOAMAOBCALML3GRM2

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
JP-8053443-A None JP disclosed
JP-H0853443-A 5-MEMBERED HETEROARYL-OXAZOLIDINONES BAYER AG 1996-02-27 JP disclosed
EP-0693491-A1 Oxazolidinones substituted by 5-membered heteroaryl group as antibacterial medicine BAYER AG (DE) 1996-01-24 EP disclosed