SCHEMBL9645855

SCHEMBL9645855

CCCCCN1CCN(CCCCn2c(=O)oc3cccnc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 2/20 0.49
HTR7 P34969 1/20 0.48

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
SCHEMBL9645962 0.99 KDM4E (0.53) KDM4EALDH1A1HTR1AHTR7
SCHEMBL9645830 0.99 KDM4E (0.53) KDM4EALDH1A1HTR1AHTR7
SCHEMBL9644908 0.99 KDM4E (0.53) KDM4EALDH1A1HTR1AHTR7
SCHEMBL9646104 0.93 KDM4E (0.52) KDM4EALDH1A1HTR1AHTR7
SCHEMBL7581253 0.86 KDM4E (0.48) KDM4EALDH1A1HTR1AHTR7
SCHEMBL9592125 0.84 KDM4E (0.54) KDM4EALDH1A1
SCHEMBL9646894 0.82 HTR1A (0.70) HTR1AHTR7
SCHEMBL9647680 0.82 KDM4E (0.41) KDM4EALDH1A1HTR1AHTR7
SCHEMBL9592310 0.81 KDM4E (0.53) KDM4EALDH1A1
SCHEMBL9589962 0.80 KDM4E (0.52) KDM4EALDH1A1

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
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed