SCHEMBL459198

SCHEMBL459198

Cc1ccc(F)c(C(O)C[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 5/20 0.41
ADRA2C P18825 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17465534 0.84 CES2 (0.45) ALDH1A1ADRA2CADRA2AADRA2BADRA1A
SCHEMBL826770 0.84 CES2 (0.45) ALDH1A1ADRA2CADRA2AADRA2BADRA1A
SCHEMBL458880 0.83 ALDH1A1 (0.39) ALDH1A1ADRA2CADRA2AADRA2BADRA1A
SCHEMBL6118147 0.78 ALDH1A1 (0.43) ALDH1A1ADRA2CADRA2AADRA2BADRA1A
SCHEMBL18252873 0.78 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6128208 0.77 CNR1 (0.47) ALDH1A1CYP3A4CNR1GAA
SCHEMBL459199 0.75 AKR1B1 (0.40) AKR1B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL531072 0.73 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL21900429 0.72 TRPA1 (0.39) ALDH1A1ADRA2CADRA2AADRA2BADRA1A
SCHEMBL22766426 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECNR1

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed