SCHEMBL9815523

SCHEMBL9815523

O=C(O)NCC1CN(c2ccc(S)cc2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.54
F2 P00734 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL9815501 0.88 MAOA (0.59) F10
SCHEMBL9823175 0.87 F10 (0.62) F10F2
SCHEMBL5764261 0.87 F10 (0.54) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL9815558 0.84 F10 (0.51) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL4881025 0.83 F10 (0.50) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL5216980 0.83 MAOA (0.60) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL9815544 0.83 F10 (0.52) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL9815493 0.82 F10 (0.49) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL9815509 0.82 F10 (0.49) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838774 0.81 F10 (0.73) F10F2CYP1A2CYP3A4CYP2D6

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-0127902-B1 AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP disclosed
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US disclosed
EP-0127902-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-12 EP disclosed