SCHEMBL9986041

SCHEMBL9986041

COc1cnc2cccc(CC[C@@H]3CC[C@@H](NC(=O)C=Cc4cc(F)ccc4F)[C@@H](C[C@@H](O)CO)O3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.41
MTNR1A P48039 6/20 0.41
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL9985552 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL4763172 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL4763168 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL4763174 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL9986040 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL9986036 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL9985548 1.00 MTNR1B (0.41) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL4779165 0.90 MTNR1B (0.43) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL4779155 0.90 MTNR1B (0.43) MTNR1BMTNR1AKCNH2SLC6A2SLC6A4
SCHEMBL9984979 0.81 KCNH2 (0.41) KCNH2

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
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