SCHEMBL20171641

SCHEMBL20171641

NCCCOC1=CCCC=C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.31
HTR1B P28222 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL4390758 0.80 LTA4H (0.33) CHRM1
SCHEMBL18652062 0.80 CHRM1 (0.30) CHRM1
SCHEMBL12465210 0.78
SCHEMBL7507371 0.78
SCHEMBL13285300 0.78
SCHEMBL22197306 0.76 HTR1B (0.42) HTR1BCHRM1
SCHEMBL18469593 0.72
SCHEMBL26788169 0.71 TSHR (0.38)
Ethylamine SCHEMBL27805738 0.69
SCHEMBL12957876 0.68 ADRA2A (0.30)

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-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed