SCHEMBL4772469

SCHEMBL4772469

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

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.49
MTNR1A P48039 10/20 0.49
KCNH2 Q12809 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
SCHEMBL9986732 0.76 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL9987031 0.74 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL9985282 0.74 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL4772475 0.74 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL9986762 0.72 MTNR1B (0.47) MTNR1BMTNR1A
SCHEMBL9986008 0.72 MTNR1B (0.47) MTNR1BMTNR1A
SCHEMBL9986040 0.65 MTNR1B (0.41) MTNR1BMTNR1AKCNH2
SCHEMBL9985552 0.65 MTNR1B (0.41) MTNR1BMTNR1AKCNH2
SCHEMBL9986041 0.65 MTNR1B (0.41) MTNR1BMTNR1AKCNH2
SCHEMBL4763174 0.65 MTNR1B (0.41) MTNR1BMTNR1AKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO claimed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP claimed
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed
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