SCHEMBL9749202

SCHEMBL9749202

NC(=O)CCC1OC(=O)N2c3ccc(Br)cc3CC12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HSD17B3 P37058 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCR1 P32246 1/20 0.30
▸ CCR2 P41597 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ F10 P00742 1/20 0.30

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
SCHEMBL13430068 0.83 SLC6A2 (0.33) HDAC1HDAC8HDAC6KCNH2
SCHEMBL13429743 0.83 KCNH2 (0.41) HDAC1HDAC8HDAC6MAOAMAOB
SCHEMBL13430114 0.83 KCNH2 (0.41) HDAC1HDAC8HDAC6MAOAMAOB
SCHEMBL13429778 0.79 MAOA (0.50) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL9964928 0.79 MAOA (0.50) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL9091911 0.79 MAOA (0.50) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL9093150 0.79 MAOA (0.50) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL3222830 0.79 MAOA (0.50) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL13430105 0.77 MAOA (0.40) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL13429570 0.75 F10 (0.40) MAOAMAOBCYP2C19KCNH2F10

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-0500686-A1 TRICYCLIC 6,5,5]/ 6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1992-09-02 — — EP disclosed
WO-1991007409-A1 TRICYCLIC [6,5,5]/[6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1991-05-30 — — WO disclosed
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