SCHEMBL8924879

SCHEMBL8924879

N#CC12COCC1CN(Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
FUCA1 P04066 2/20 0.40
SIGMAR1 Q99720 6/20 0.39
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 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
SCHEMBL9179426 0.82 OPRM1 (0.46) OPRM1FUCA1SIGMAR1
SCHEMBL8925563 0.75 FUCA1 (0.41) FUCA1SIGMAR1DRD2DRD3
SCHEMBL34474128 0.74 FUCA1 (0.43) FUCA1SIGMAR1
SCHEMBL34473399 0.74 FUCA1 (0.40) FUCA1SIGMAR1DRD2DRD3
SCHEMBL9187010 0.71 OPRM1 (0.54) OPRM1SIGMAR1
SCHEMBL7493585 0.71 OPRM1 (0.41) OPRM1FUCA1SIGMAR1
SCHEMBL7993621 0.71 OPRM1 (0.41) OPRM1FUCA1SIGMAR1
SCHEMBL18425484 0.71 OPRM1 (0.50) OPRM1SIGMAR1DRD2DRD3
SCHEMBL6007699 0.70 SMN1; SMN2 (0.46) SIGMAR1DRD2DRD3
SCHEMBL6007693 0.70 SMN1; SMN2 (0.46) SIGMAR1DRD2DRD3

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