SCHEMBL4773064

SCHEMBL4773064

COc1cnc2cccc(C(O)C[C@@H]3CC[C@@H](N)[C@@H](CO)O3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.39
MTNR1A P48039 7/20 0.39
KCNH2 Q12809 3/20 0.32
SLC2A1 P11166 2/20 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
SCHEMBL4773074 0.82 MTNR1B (0.39) MTNR1BMTNR1A
SCHEMBL5503277 0.82 MTNR1B (0.41) MTNR1BMTNR1AKCNH2
SCHEMBL5503275 0.78 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC2A1
SCHEMBL9985282 0.77 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL9987031 0.77 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL4772475 0.77 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL3780018 0.75 MTNR1B (0.48) MTNR1BMTNR1A
SCHEMBL4770381 0.73 MTNR1B (0.33) MTNR1BMTNR1ASLC2A1
SCHEMBL3779200 0.73 SLC2A1 (0.47) MTNR1BMTNR1AKCNH2SLC2A1
SCHEMBL5264168 0.71 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC2A1

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-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed