SCHEMBL19633181

SCHEMBL19633181

CCCc1ccc(NCCNC)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
MAPT P10636 3/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PLK1 P53350 1/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL24451810 0.83 MAPT (0.50) TAAR1MAPTSIGMAR1PLK1GAA
SCHEMBL3060595 0.81 TAAR1 (0.64) TAAR1MAPTTMEM97SIGMAR1PLK1
SCHEMBL12895818 0.81 ADRA2A (0.50) MAPTPLK1GAAALDH1A1LMNA
SCHEMBL24324959 0.80 SPHK1 (0.47) MAPTSIGMAR1GAAALDH1A1LMNA
SCHEMBL11454956 0.80 LMNA (0.49) MAPTPLK1GAAALDH1A1LMNA
SCHEMBL11935542 0.78 HTR2A (0.46) MAPT
SCHEMBL11934948 0.78 SIGMAR1 (0.53) TAAR1MAPTSIGMAR1PLK1GAA
SCHEMBL19203843 0.78 MAPT (0.46) TAAR1MAPTTMEM97SIGMAR1GAA
SCHEMBL12452414 0.76 PLK1 (0.50) PLK1GAAALDH1A1LMNATDP1
SCHEMBL10888982 0.76 BCHE (0.44) MAPT

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
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 WO disclosed