SCHEMBL21101183

SCHEMBL21101183

NCCC1CCN(c2ccncn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
SORD Q00796 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
PTPN11 Q06124 1/20 0.43
CYP2D6 P10635 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ENPP1 P22413 1/20 0.42
CHEK1 O14757 2/20 0.41
CHEK2 O96017 2/20 0.41
LSS P48449 1/20 0.41
RIPK1 Q13546 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL6066639 0.88 CHEK1 (0.52) GPR119SORDROCK2ROCK1CDC42BPB
SCHEMBL13744594 0.85 GPR119 (0.50) GPR119SORDCYP2D6DPP4KCNH2
SCHEMBL25687828 0.82 GPR119 (0.48) GPR119SORDCYP2D6DPP4KCNH2
SCHEMBL16597339 0.81 SORD (0.56) GPR119SORDLSSRIPK1JAK2
SCHEMBL12424487 0.81 GPR119 (0.49) GPR119SORDCHEK1CHEK2LSS
SCHEMBL4771414 0.81 SORD (0.49) GPR119SORDCYP2D6DPP4KCNH2
SCHEMBL13745108 0.80 GPR119 (0.52) GPR119SORDCYP2D6DPP4KCNH2
SCHEMBL4429602 0.80 DRD2 (0.51) GPR119PTPN11DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2948979 0.79 GPR119 (0.51) GPR119SORDCYP2D6DPP4KCNH2
SCHEMBL1381114 0.79 HRH3 (0.58) GPR119SORDROCK2ROCK1CDC42BPB

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