SCHEMBL7272276

SCHEMBL7272276

CCC(=O)N[C@@H]1CCc2ccc(OC)cc2[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.60
MTNR1B P49286 12/20 0.60
NQO2 P16083 11/20 0.60

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
SCHEMBL7272279 1.00 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL12307954 0.89 MTNR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL7270908 0.86 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270914 0.86 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7270912 0.86 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8073051 0.86 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL6401566 0.86 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL15544456 0.81 TRPV1 (0.54) MTNR1AMTNR1BNQO2
SCHEMBL15617246 0.81 TRPV1 (0.54) MTNR1AMTNR1BNQO2
SCHEMBL15617046 0.81 TRPV1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059905-A2 IMAGING LIGANDS GENERAL ELECTRIC COMPANY (US) 2010-05-27 WO disclosed
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