SCHEMBL7270908

SCHEMBL7270908

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.58
MTNR1B P49286 13/20 0.57
NQO2 P16083 10/20 0.56

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
SCHEMBL7270914 1.00 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270912 1.00 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8073051 0.90 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL6401566 0.90 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL7272279 0.86 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL7272276 0.86 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL12307954 0.85 MTNR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL7271026 0.84 KMT2A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL7271030 0.84 KMT2A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL7271031 0.84 KMT2A (0.51) 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
US-4420480-A PARKINSONISM, DEPRESSION, HYPOTENSIVES MERCK & CO., INC. (US) 1983-12-13 US disclosed
EP-0080115-A2 Hexahydronaphth(1,2-b)-1,4-oxazines, process for their preparation and pharmaceutical formulation containing them MERCK & CO. INC. (US) 1983-06-01 EP disclosed