SCHEMBL3668033

SCHEMBL3668033

COc1ccc2ncnc(N3CC(NC[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CS5)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
MTNR1B P49286 2/20 0.38
ENPP1 P22413 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KIT P10721 2/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL3634385 0.89 KCNH2 (0.45) KCNH2MAOAMAOB
SCHEMBL3668001 0.88 DRD4 (0.40) KCNH2MTNR1BENPP1
SCHEMBL1224343 0.86 KCNH2 (0.40) KCNH2MTNR1BENPP1MAOAMAOB
SCHEMBL1224345 0.86 KCNH2 (0.40) KCNH2MTNR1BENPP1MAOAMAOB
SCHEMBL3628040 0.79 KCNH2 (0.36) KCNH2
SCHEMBL3632180 0.77 KCNH2 (0.38) KCNH2
SCHEMBL1224202 0.76 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1223131 0.76 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1223130 0.76 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1223135 0.75 KCNH2 (0.45) KCNH2MAOAMAOB

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 claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed