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Sugi Predict / Compounds / SCHEMBL3633094

SCHEMBL3633094

SCHEMBL3633094

COc1ccc2nccc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)[C@H]3CCNC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CCR8 P51685 7/20 0.34
▸ NCF1 P14598 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL3636351 0.95 KCNH2 (0.40) KCNH2MAOAMAOBCCR8NCF1
SCHEMBL3634321 0.90 MAOA (0.32) MAOA
SCHEMBL3636474 0.86 MAOA (0.33) KCNH2MAOAMAOB
SCHEMBL3629842 0.85 GRM2 (0.35) KCNH2MAOAMAOBGRM2
SCHEMBL3633671 0.85 MAOA (0.37) KCNH2MAOAMAOBGRM2
SCHEMBL3629846 0.84 MAOA (0.32) MAOAMAOBGRM2
SCHEMBL3634036 0.84 MAOA (0.37) KCNH2MAOAMAOBGRM2PDE3B
SCHEMBL3633217 0.84 KCNH2 (0.35) KCNH2CCR8
SCHEMBL3636593 0.82 DRD4 (0.40) KCNH2GRM2
SCHEMBL3633994 0.81 KCNH2 (0.39) KCNH2MAOAMAOBCCR8NCF1

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