SCHEMBL873831

SCHEMBL873831

COCCOc1ccc(CCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
MAOB P27338 2/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL2328953 0.95 MEN1 (0.48) TAAR1HRH3MEN1USP2ALDH1A1
SCHEMBL2332173 0.90 MEN1 (0.55) TAAR1HRH3MEN1USP2ALDH1A1
SCHEMBL2325119 0.90 MEN1 (0.55) TAAR1HRH3MEN1USP2ALDH1A1
SCHEMBL6568884 0.89 TAAR1 (0.62) TAAR1MAOB
SCHEMBL11764067 0.87 LTA4H (0.50) TAAR1HRH3MAOBLTA4H
SCHEMBL23291313 0.84 TAAR1 (0.56) TAAR1MEN1USP2ALDH1A1LMNA
SCHEMBL23291137 0.84 TAAR1 (0.56) TAAR1MEN1USP2ALDH1A1LMNA
SCHEMBL23928162 0.84 TAAR1 (0.56) TAAR1MEN1USP2ALDH1A1LMNA
SCHEMBL21245437 0.84 TAAR1 (0.56) TAAR1MEN1USP2ALDH1A1LMNA
SCHEMBL23291231 0.84 TAAR1 (0.56) TAAR1MEN1USP2ALDH1A1LMNA

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