SCHEMBL3636474

SCHEMBL3636474

O=C1CSc2ccc(N3C[C@@H](CN(c4ccnc5ccc(F)cc45)C4CCNCC4)OC3=O)cc2N1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
CALML3 P27482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
MAOB P27338 1/20 0.30
POLB P06746 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3634321 0.96 MAOA (0.32) MAOACALML3ALDH1A1HTT
SCHEMBL3629846 0.93 MAOA (0.32) MAOACALML3ALDH1A1HTTMAOB
SCHEMBL3633094 0.86 KCNH2 (0.38) MAOAMAOBKCNH2
SCHEMBL3633217 0.84 KCNH2 (0.35) KCNH2
SCHEMBL3636351 0.83 KCNH2 (0.40) MAOAMAOBKCNH2
SCHEMBL634111 0.77 SIGMAR1 (0.36) MAOACALML3TRPV1MAOBKCNH2
SCHEMBL633769 0.77 SIGMAR1 (0.36) MAOACALML3TRPV1MAOBKCNH2
SCHEMBL1224655 0.77 MAOA (0.34) MAOACALML3TRPV1MAOBKCNH2
SCHEMBL1224657 0.77 MAOA (0.34) MAOACALML3TRPV1MAOBKCNH2
SCHEMBL1224247 0.77 MAOB (0.36) MAOACALML3TRPV1MAOB

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-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed