SCHEMBL8716290

SCHEMBL8716290

O=[N+]([O-])c1ccc2c(c1)CCC(O)C2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.50
ADRA2A P08913 6/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
GRIN2B Q13224 2/20 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
SCHEMBL30942655 0.94 PNMT (0.50) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL6575309 0.94 PNMT (0.50) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL2728205 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL4551781 0.88 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL1950952 0.81 DRD2 (0.51) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL16252312 0.80 TDP1 (0.51) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL24773358 0.77 GRIN2B (0.52) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL3581953 0.77 HDAC8 (0.38) PNMTADRA2AADRA2BADRA2C
SCHEMBL467795 0.77 GRIN2B (0.55) PNMTADRA2AADRA2BADRA2CGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552817-B1 Milbemycin ether derivatives, their preparation and their therapeutic and agrochemical uses SANKYO CO (JP) 1998-05-27 EP disclosed
US-5604182-A EXHIBIT ANTHELMINTIC, ACARICIDAL AND INSECTICIDAL ACTIVITIES SANKYO COMPANY LIMITED (JP) 1997-02-18 US disclosed
US-5346918-A Anthelmintics, acaridices, insecticides SANKYO COMPANY LIMITED (JP) 1994-09-13 US disclosed
EP-0552817-A2 Milbemycin ether derivatives, their preparation and their therapeutic and agrochemical uses Sankyo Company Limited (JP) 1993-07-28 EP disclosed
EP-0448243-A1 Milbemycin ether derivatives, their preparation and their therapeutic and agrochemical uses Sankyo Company Limited (JP) 1991-09-25 EP disclosed