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SCHEMBL2483451

SCHEMBL2483451

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 17/20 0.56
▸ MAOB P27338 1/20 0.56
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL18059595 1.00 MAOA (0.56) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5237704 0.90 MAOA (0.70) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL18059589 0.86 MAOA (0.53) MAOAMAOBKCNH2
SCHEMBL18059590 0.86 MAOA (0.53) MAOAMAOBKCNH2
SCHEMBL6485962 0.86 MAOA (0.54) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL18059602 0.85 MAOA (0.50) MAOAMAOBKCNH2
SCHEMBL2501174 0.85 MAOA (0.49) MAOAMAOBKCNH2
SCHEMBL18059592 0.85 MAOA (0.49) MAOAMAOBKCNH2
SCHEMBL2509465 0.85 MAOA (0.50) MAOAMAOBKCNH2
SCHEMBL2507042 0.84 MAOA (0.47) MAOAMAOB

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-2367820-B1 NOVEL ANTIMICROBIAL AGENTS PANACEA BIOTEC LTD (IN) 2016-09-21 — — EP disclosed
EP-2367820-A2 Novel antimicrobials Panacea Biotec Limited (IN) 2011-09-28 — — EP disclosed
WO-2010058423-A2 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2010-05-27 — — WO disclosed