SCHEMBL21101353

SCHEMBL21101353

C=NCCC1CCN(CCOC)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
GBA1 P04062 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
HSD11B1 P28845 1/20 0.33
GNAO1 P09471 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23205040 0.82 KDM1A (0.40) KDM1AHRH3HSD11B1GNAO1
SCHEMBL4378930 0.81 HSD11B1 (0.39) KDM1AHRH3HSD11B1GNAO1
SCHEMBL6750686 0.79 HRH3 (0.49) KDM1AHRH3HSD11B1GNAO1
SCHEMBL4376655 0.77 ACHE (0.44) KDM1AGBA1HRH3HSD11B1ALDH1A1
SCHEMBL4376649 0.77 HSD11B1 (0.39) KDM1AHRH3HSD11B1GNAO1
SCHEMBL4380526 0.77 KDM1A (0.39) KDM1AGBA1HSD11B1ALDH1A1
SCHEMBL20154540 0.76 HRH3 (0.52) KDM1AHRH3GNAO1
SCHEMBL12449623 0.75 KDM1A (0.38) KDM1AGBA1HSD11B1ALDH1A1
SCHEMBL4371147 0.75 HRH3 (0.39) KDM1AHRH3HSD11B1GNAO1ALDH1A1
SCHEMBL4371150 0.75 GBA1 (0.41) KDM1AGBA1HRH3HSD11B1GNAO1

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-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed