SCHEMBL8435747

SCHEMBL8435747

CC1CNCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8438157 1.00 HTR2C (0.47) HTR2CALDH1A1MAPTLMNAKCNJ1
SCHEMBL8437972 1.00 HTR2C (0.47) HTR2CALDH1A1MAPTLMNAKCNJ1
SCHEMBL2929662 0.87 KCNJ1 (0.42) ALDH1A1MAPTKCNJ1KCNH2HPGD
SCHEMBL8436611 0.86 TDP1 (0.45) ALDH1A1MAPTKCNJ1KCNH2HPGD
SCHEMBL8521692 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKCNJ1KCNH2
SCHEMBL4332940 0.84 HTR2C (0.52) HTR2C
SCHEMBL583648 0.83 HTR2C (0.67) HTR2C
SCHEMBL523993 0.83 HTR2C (0.67) HTR2C
SCHEMBL1191153 0.83 HTR2C (0.67) HTR2C
SCHEMBL10641883 0.82 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed