SCHEMBL9815558

SCHEMBL9815558

CSc1ccc(N2CC(CNC(=O)O)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.51
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
ITGB3 P05106 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
ITGA2B P08514 2/20 0.47
PRSS3 P35030 2/20 0.47
F2 P00734 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47

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
SCHEMBL9815486 0.90 MAOA (0.57) F10MAOAMAOBLMNAPTGS1
SCHEMBL9815509 0.88 F10 (0.49) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9550281 0.87 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL18770298 0.86 MAOA (0.57) F10CYP3A4CYP2C19MAOAMAOB
SCHEMBL20528026 0.86 MAOA (0.57) F10CYP3A4CYP2C19MAOAMAOB
SCHEMBL20528017 0.86 MAOA (0.57) F10CYP3A4CYP2C19MAOAMAOB
SCHEMBL18787361 0.84 MAOB (0.55) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL9823175 0.84 F10 (0.62) F10F2
SCHEMBL5764261 0.84 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9815523 0.84 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9

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 6 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 claimed
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US claimed
EP-0127902-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-12 EP claimed
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