SCHEMBL874149

SCHEMBL874149

COCOc1ccc(CCCCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 5/20 0.44
HRH1 P35367 2/20 0.43
HTR2A P28223 1/20 0.43
CALM1 P0DP23 1/20 0.41

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
SCHEMBL6167562 0.87 TAAR1 (0.64) TAAR1MAOB
SCHEMBL2328953 0.84 MEN1 (0.48) TAAR1MAOAMAOB
SCHEMBL10405439 0.82 ALDH1A1 (0.56) HTR2A
SCHEMBL10405802 0.82 TDP1 (0.46) CALM1
SCHEMBL9833543 0.82 CALM1 (0.41) TAAR1CALM1
SCHEMBL9015403 0.82 ALDH1A1 (0.56) HTR2A
SCHEMBL874531 0.81 ALDH1A1 (0.47) CALM1
SCHEMBL8087303 0.81 NQO1 (0.54) TAAR1MAOAHRH1HTR2A
SCHEMBL2328648 0.81 TAAR1 (0.73) TAAR1MAOAMAOBCALM1
SCHEMBL10405522 0.81 MEN1 (0.51) CALM1

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-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed