SCHEMBL8591194

SCHEMBL8591194

CC(=O)NCC1CN(c2ccc(-c3ccc(N4CCC(N)C4)c(=O)cc3)cc2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.54
▸ MAOA P21397 4/20 0.54
▸ MAOB P27338 3/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ SDHA P31040 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CALML3 P27482 1/20 0.54
▸ ITGB3 P05106 5/20 0.47
▸ PRSS1 P07477 5/20 0.47
▸ PRSS2 P07478 5/20 0.47
▸ ITGA2B P08514 5/20 0.47
▸ PRSS3 P35030 5/20 0.47
▸ ABCB11 O95342 1/20 0.44

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
SCHEMBL8590019 0.90 MAOA (0.55) F10MAOAMAOBPTGS1SDHA
SCHEMBL8590924 0.87 MAOA (0.61) F10MAOAMAOBPTGS1SDHA
SCHEMBL6755402 0.86 MAOA (0.60) F10MAOAMAOBPTGS1SDHA
SCHEMBL6753194 0.85 MAOA (0.59) F10MAOAMAOBPTGS1SDHA
SCHEMBL6859879 0.85 MAOB (0.72) F10MAOAMAOBPTGS1SDHA
SCHEMBL6861537 0.85 MAOB (0.72) F10MAOAMAOBPTGS1SDHA
SCHEMBL8591887 0.85 MAOA (0.56) F10MAOAMAOBPTGS1SDHA
SCHEMBL6755502 0.85 MAOA (0.58) F10MAOAMAOBPTGS1SDHA
SCHEMBL6755401 0.84 MAOA (0.53) F10MAOAMAOBPTGS1SDHA
SCHEMBL13298924 0.84 MAOA (0.61) F10MAOAMAOBPTGS1SDHA

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-0673370-B1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS UPJOHN CO (US) 1998-01-07 — — EP claimed
EP-0673370-B1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS UPJOHN CO (US) 1998-01-07 — — EP disclosed
WO-1994013649-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1994-06-23 — — WO disclosed
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