SCHEMBL7022776

SCHEMBL7022776

CN(CCOCCNc1c([N+](=O)[O-])cnc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
MAOA P21397 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADORA2A P29274 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL7022780 1.00 CHRM2 (0.46) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4344723 0.88 CHRM2 (0.40) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL22347111 0.85 MAPT (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL3168206 0.83 KMT2A (0.45) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4775413 0.83 KDM4E (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4324704 0.81 KMT2A (0.43) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1895040 0.80 CHRM2 (0.41) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6724381 0.80 LDHA (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1898134 0.80 CHRM2 (0.39) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1041725 0.80 BCHE (0.44) ADORA2AHPGDALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341792-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
WO-2002046188-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed