SCHEMBL10695529

SCHEMBL10695529

N#Cc1ccc(OCCN2CCCC(OC(N)=O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.55
HRH2 P25021 9/20 0.55
HRH1 P35367 9/20 0.55
KCNA5 P22460 5/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL10696993 0.86 KDM4E (0.54) HRH3HRH2HRH1KCNA5KDM4E
SCHEMBL10695808 0.81 KDM4E (0.48) HRH3KCNA5KDM4EALDH1A1LMNA
SCHEMBL10697150 0.76 KDM4E (0.56) HRH3KDM4EALDH1A1LMNA
Oxalic Acid SCHEMBL4495391 0.75 HRH3 (0.56) HRH3HRH2HRH1KCNA5KDM4E
SCHEMBL4874490 0.75 HRH3 (0.82) HRH3HRH2HRH1KCNA5KDM4E
Oxalic Acid SCHEMBL10695599 0.74 KDM4E (0.59) HRH3KDM4EALDH1A1LMNA
SCHEMBL10695019 0.74 KDM4E (0.53) HRH3KCNA5KDM4EALDH1A1LMNA
SCHEMBL10695426 0.74 KDM4E (0.56) KCNA5KDM4EALDH1A1LMNA
SCHEMBL227297 0.73 HRH3 (0.85) HRH3HRH2HRH1
SCHEMBL15033017 0.73 HRH3 (0.82) HRH3HRH2HRH1KCNA5

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