SCHEMBL8922758

SCHEMBL8922758

CC(C)(C)OC(=O)NCC12CN(Cc3ccccc3)CC1CCO2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.46
NPFFR2 Q9Y5X5 6/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
IDO1 P14902 1/20 0.39
SYK P43405 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL7491453 1.00 NPFFR1 (0.46) NPFFR1NPFFR2ALDH1A1KMT2AL3MBTL1
SCHEMBL7499070 1.00 NPFFR1 (0.46) NPFFR1NPFFR2ALDH1A1KMT2AL3MBTL1
SCHEMBL7496985 0.87 OPRM1 (0.41) ACHE
SCHEMBL7497718 0.83 DRD4 (0.40) NPFFR1NPFFR2ACHESIGMAR1
SCHEMBL7516286 0.81 NPFFR1 (0.53) NPFFR1NPFFR2ALDH1A1KMT2AL3MBTL1
SCHEMBL7498641 0.81 UTS2R (0.37) ALDH1A1KMT2ASYK
SCHEMBL9178875 0.81 NPFFR1 (0.50) NPFFR1NPFFR2ALDH1A1KMT2AL3MBTL1
SCHEMBL7495543 0.80 KDM4E (0.41) ACHEBCHE
SCHEMBL5463318 0.79 NPFFR1 (0.52) NPFFR1NPFFR2ALDH1A1KMT2AL3MBTL1
SCHEMBL7492595 0.78 OPRL1 (0.38) ACHEBCHESIGMAR1DRD2

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
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed