SCHEMBL8701781

SCHEMBL8701781

O=C1O[C@@H](CO)CN1c1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
CALML3 P27482 6/20 0.55
ACACB O00763 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
PSMD14 O00487 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
CHRNA7 P36544 1/20 0.41

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 SCHEMBL8787732 0.87 F10 (0.47) MAOAMAOBCALML3ACACBPSMD14
SCHEMBL9029466 0.84 MAOA (0.55) MAOAMAOBCALML3ACACB
Hydrochloric Acid SCHEMBL8695876 0.83 MAOA (0.54) MAOAMAOBCALML3ACACB
SCHEMBL2827335 0.82 GRM2 (0.62)
SCHEMBL16686266 0.82 MAOA (0.64) MAOAMAOBCALML3
SCHEMBL9205426 0.82 MAOA (0.64) MAOAMAOBCALML3
SCHEMBL2825607 0.77 GRM2 (0.65)
SCHEMBL14183582 0.76 MAOA (0.61) MAOAMAOBCALML3CYP3A4CYP2D6
SCHEMBL8788776 0.76 MAOA (0.49) MAOAMAOBCALML3CYP2C19CYP3A4
SCHEMBL7068856 0.75 GRM2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843967-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
EP-0785197-A2 2-oxo and 2-thio-1,2-dihydroquinolinyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed
US-5627181-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0694543-A1 6-membered N-heteroaryloxazolidinones BAYER AG (DE) 1996-01-31 EP disclosed