SCHEMBL8925563

SCHEMBL8925563

NCC12COCC1CN(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.41
PTPN11 Q06124 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SIGMAR1 Q99720 3/20 0.38
TMEM97 Q5BJF2 1/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL3988127 0.81 SIGMAR1 (0.43) FUCA1DRD2DRD3SIGMAR1GAA
SCHEMBL9839788 0.79 FUCA1 (0.41) FUCA1DRD2DRD3SIGMAR1GAA
Lithium Ion SCHEMBL9839786 0.78 FUCA1 (0.40) FUCA1DRD2DRD3SIGMAR1GAA
SCHEMBL34473399 0.75 FUCA1 (0.40) FUCA1DRD2DRD3SIGMAR1TMEM97
SCHEMBL34474128 0.75 FUCA1 (0.43) FUCA1SIGMAR1TMEM97GAA
SCHEMBL8924879 0.75 OPRM1 (0.41) FUCA1DRD2DRD3SIGMAR1
SCHEMBL7495999 0.70 CHRM3 (0.39) FUCA1SIGMAR1
SCHEMBL34474271 0.70 ALDH1A1 (0.45) FUCA1SIGMAR1TMEM97
SCHEMBL4482745 0.70 FUCA1 (0.46) FUCA1SIGMAR1GAA
SCHEMBL31325224 0.70 FUCA1 (0.46) FUCA1SIGMAR1GAA

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