SCHEMBL8333208

SCHEMBL8333208

COC(=O)N[C@H]1CCc2ccc(OC)cc2C1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.51
MTNR1B P49286 14/20 0.49
NQO2 P16083 12/20 0.49

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
SCHEMBL6401566 0.83 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL8073051 0.83 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL9175698 0.81 MTNR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL7270908 0.75 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270914 0.75 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270912 0.75 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8501324 0.73 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL4427914 0.73 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL2466357 0.73 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL9630789 0.71 MTNR1A (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11092441-A None JP disclosed
JP-H1192441-A OPTICALLY ACTIVE 1-ACYLOXY-2-SUBSTITUTED AMINOTETRALIN COMPOUND, ITS PREPARATION AND PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED AMINOTETRALIN SUMIKA FINE CHEMICALS CO LTD 1999-04-06 JP disclosed