SCHEMBL10696776

SCHEMBL10696776

Cc1ccc(OCCN2CCC(=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
KCNA5 P22460 6/20 0.56
MAPK14 Q16539 1/20 0.54
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
MAPT P10636 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50

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
Oxalic Acid SCHEMBL10698242 0.93 KCNA5 (0.60) KCNA5HPGDALDH1A1MAPT
SCHEMBL7400087 0.84 LTA4H (0.65) HRH3KCNA5HPGDALDH1A1
SCHEMBL19025236 0.84 LTA4H (0.65) HRH3KCNA5PSMB1PSMB5
SCHEMBL8114904 0.83 LTA4H (0.61) HRH3KCNA5ALDH1A1
SCHEMBL6945688 0.83 LTA4H (0.61) HRH3KCNA5ALDH1A1
SCHEMBL8337754 0.83 HRH3 (0.70) HRH3MAPK14PSMB1PSMB5ALDH1A1
SCHEMBL15834053 0.83 HRH3 (0.66) HRH3MAPK14PSMB1PSMB5
Hydrochloric Acid SCHEMBL8972891 0.81 HRH3 (0.68) HRH3MAPK14PSMB1PSMB5ALDH1A1
SCHEMBL82435 0.81 HRH3 (0.73) HRH3MAPK14PSMB1PSMB5
SCHEMBL10191921 0.81 LTA4H (0.65) HRH3KCNA5HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed