SCHEMBL8501324

SCHEMBL8501324

COc1ccc2c(c1)[C@@H](NC(C)=O)CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.62
MTNR1B P49286 10/20 0.61
NQO2 P16083 7/20 0.60
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE10A Q9Y233 1/20 0.53
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ACHE P22303 1/20 0.51

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
SCHEMBL4427914 1.00 MTNR1A (0.62) MTNR1AMTNR1BNQO2PDE4APDE4B
SCHEMBL2466357 1.00 MTNR1A (0.62) MTNR1AMTNR1BNQO2PDE4APDE4B
SCHEMBL11602838 0.92 MEN1 (0.57) MTNR1AMTNR1BNQO2KDM1AMAOA
SCHEMBL4710772 0.89 CA12 (0.64) MTNR1AMTNR1BNQO2
SCHEMBL5457802 0.87 PDE4A (0.55) MTNR1AMTNR1BNQO2PDE4APDE4B
SCHEMBL9630654 0.84 MTNR1A (0.65) MTNR1AMTNR1BNQO2PDE4APDE4B
SCHEMBL14374375 0.83 ACHE (0.76) MAOAMAOBACHE
SCHEMBL7272139 0.82 LMNA (0.58) MTNR1AMTNR1BNQO2ACHE
SCHEMBL7270912 0.82 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270914 0.82 MTNR1A (0.58) MTNR1AMTNR1BNQO2

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
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US claimed