SCHEMBL30428673

SCHEMBL30428673

COC(=O)CCC1c2ccccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.43
NOTUM Q6P988 1/20 0.43
DRD2 P14416 3/20 0.41
GHSR Q92847 4/20 0.40
MTNR1A P48039 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ACE P12821 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4849847 0.89 MTNR1B (0.45) MTNR1BDRD2GHSRMTNR1APRMT5
SCHEMBL4839514 0.86 MTNR1B (0.46) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL30429107 0.86 MTNR1B (0.46) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL30645340 0.86 MTNR1B (0.46) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL4833087 0.85 MTNR1B (0.48) MTNR1BDRD2GHSRMTNR1APRMT5
SCHEMBL31032732 0.85 MTNR1B (0.46) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL11929926 0.85 MTNR1B (0.47) MTNR1BDRD2GHSRMTNR1APRMT5
SCHEMBL30428513 0.84 MTNR1B (0.45) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL18066403 0.83 MEN1 (0.50) MTNR1BDRD2GHSRPRMT5WDR77
SCHEMBL30558539 0.83 MEN1 (0.50) MTNR1BDRD2GHSRPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511750-B Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2023-06-13 CN disclosed