SCHEMBL4779104

SCHEMBL4779104

COc1cnc2cccc(C(CO)C3CCC(N)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.44
MTNR1A P48039 6/20 0.44
SSTR2 P30874 2/20 0.36
MELK Q14680 5/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE4B Q07343 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 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
SCHEMBL3375899 0.79 MTNR1B (0.52) MTNR1BMTNR1ASSTR2MELKAXL
SCHEMBL3375900 0.79 MTNR1B (0.52) MTNR1BMTNR1ASSTR2MELKAXL
SCHEMBL4773074 0.79 MTNR1B (0.39) MTNR1BMTNR1A
SCHEMBL3779200 0.77 SLC2A1 (0.47) MTNR1BMTNR1ASSTR2
SCHEMBL3780018 0.76 MTNR1B (0.48) MTNR1BMTNR1APDE4B
SCHEMBL5503277 0.74 MTNR1B (0.41) MTNR1BMTNR1ASSTR2
SCHEMBL5264168 0.73 MTNR1B (0.41) MTNR1BMTNR1A
SCHEMBL21783731 0.71 MTNR1B (0.47) MTNR1BMTNR1APDE4B
SCHEMBL4773064 0.70 MTNR1B (0.39) MTNR1BMTNR1A
SCHEMBL3776044 0.68 SLC2A1 (0.41) MTNR1BMTNR1A

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-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed