SCHEMBL11143532

SCHEMBL11143532

O=C(COCc1ccccc1)NCCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.74
HRH3 Q9Y5N1 1/20 0.74
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL5277819 0.92 HRH2 (0.69) HRH2HRH3
SCHEMBL11185887 0.91 HRH2 (0.78) HRH2HRH3KDM4EALDH1A1
SCHEMBL10838870 0.90 HRH2 (0.76) HRH2HRH3KDM4EALDH1A1
SCHEMBL11213355 0.89 HRH2 (0.78) HRH2HRH3
SCHEMBL5291389 0.89 HRH2 (0.58) HRH2HRH3KDM4EALDH1A1
SCHEMBL11209292 0.88 HRH2 (0.58) HRH2HRH3KDM4EALDH1A1
SCHEMBL11175225 0.87 HRH2 (0.75) HRH2HRH3
SCHEMBL11179648 0.87 HRH2 (0.81) HRH2HRH3
SCHEMBL11185842 0.86 HRH2 (0.77) HRH2HRH3KDM4EALDH1A1
SCHEMBL11302925 0.85 HRH2 (0.79) HRH2HRH3

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
JP-58015944-A None JP disclosed
JP-S5815944-A NOVEL BENZYLOXYACETAMIDE DERIVATIVE TEIKOKU HORMONE MFG CO LTD 1983-01-29 JP disclosed