SCHEMBL6181295

SCHEMBL6181295

Cc1nnn(C[C@H]2CN(c3cc(F)c(C4CCSC(=O)C4)c(F)c3)C(=O)O2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.40
MAOB P27338 3/20 0.36
KCNH2 Q12809 3/20 0.36
CALML3 P27482 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4020719 0.89 MAOA (0.42) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL4016060 0.83 MAOA (0.44) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL4013878 0.82 MAOA (0.39) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL6426220 0.76 MAOA (0.60) MAOAMAOBCALML3
SCHEMBL4016292 0.73 MAOA (0.61) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL5792952 0.72 MAOA (0.53) MAOAMAOBCALML3
SCHEMBL4015683 0.71 MAOA (0.53) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL4017450 0.71 MAOA (0.59) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL4018740 0.70 MAOA (0.47) MAOAMAOBKCNH2CALML3CYP3A4
SCHEMBL4014935 0.69 MAOA (0.44) MAOAMAOBKCNH2CALML3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497286-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-01-19 EP claimed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 WO claimed