SCHEMBL16800520

SCHEMBL16800520

O=C(O)CN1CCNCCN(CP(=O)(O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
HSD17B10 Q99714 2/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
THRB P10828 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL30811210 1.00 MAPT (0.47) MAPTCHRM5CHRM3HSD17B10ANPEP
SCHEMBL7039511 0.89 HSD17B10 (0.47) MAPTHSD17B10ANPEPERAP2LMNA
SCHEMBL6424182 0.89 HSD17B10 (0.47) MAPTHSD17B10ANPEPERAP2LMNA
SCHEMBL27329590 0.89 HSD17B10 (0.47) MAPTHSD17B10ANPEPERAP2LMNA
SCHEMBL3974583 0.89 HSD17B10 (0.47) MAPTHSD17B10ANPEPERAP2LMNA
SCHEMBL5059158 0.89 HSD17B10 (0.47) MAPTHSD17B10ANPEPERAP2LMNA
SCHEMBL472195 0.87 MAPT (0.49) MAPTCHRM5CHRM3HSD17B10ANPEP
SCHEMBL336114 0.87 MAPT (0.49) MAPTCHRM5CHRM3HSD17B10ANPEP
SCHEMBL14037201 0.86 MAPT (0.38) MAPTCHRM5CHRM3HSD17B10ANPEP
SCHEMBL7453394 0.85 MAPT (0.50) MAPTCHRM5CHRM3HSD17B10ANPEP

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-2015085005-A1 MOLECULAR IMAGING PROBES THE GENERAL HOSPITAL CORPORATION (US) 2015-06-11 WO disclosed