SCHEMBL31056540

SCHEMBL31056540

COC(=O)c1ccc(C2CNCCN2)c2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.34
FUCA1 P04066 1/20 0.34
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR4 Q13639 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29321033 1.00 SLC6A2 (0.38) SLC6A2SLC6A4KDM4EALDH1A1LMNA
SCHEMBL29323708 0.86 SLC6A2 (0.37) SLC6A2SLC6A4PARP1FUCA1SLC6A3
SCHEMBL31056598 0.86 SLC6A2 (0.37) SLC6A2SLC6A4PARP1FUCA1SLC6A3
SCHEMBL31056959 0.80 SLC6A2 (0.34) SLC6A2SLC6A4KDM4EPARP1FUCA1
SCHEMBL29324068 0.80 SLC6A2 (0.34) SLC6A2SLC6A4KDM4EPARP1FUCA1
SCHEMBL4516849 0.77 SLC6A2 (0.44) SLC6A2SLC6A4KDM4EALDH1A1LMNA
SCHEMBL6848305 0.77 KDM4E (0.56) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL31056754 0.74 HTR4 (0.34) SLC6A2SLC6A4KDM4EALDH1A1LMNA
SCHEMBL29320338 0.73 CA12 (0.48) SLC6A2SLC6A4LMNAPARP1SLC6A3
SCHEMBL29322206 0.73 PARP1 (0.37) SLC6A2SLC6A4PARP1FUCA1SLC6A3

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed