SCHEMBL3263447

SCHEMBL3263447

CC(C)CN1CCC(N2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PIK3CD O00329 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR4 P51679 1/20 0.38
POLB P06746 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CXCR4 P61073 1/20 0.35
CYP2D6 P10635 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL3489152 0.83 EPHX1 (0.47) MEN1KMT2ASIGMAR1KDM4EPOLB
SCHEMBL3489553 0.81 CTSK (0.45) HTTKMT2A
SCHEMBL29602619 0.81 PIK3CD (0.50) PIK3CDPARP1ALDH1A1KDM4ETDP1
SCHEMBL922132 0.80 SIGMAR1 (0.41) SIGMAR1KDM4EPOLB
SCHEMBL3268411 0.79 PIK3CD (0.46) HTTPIK3CDMEN1KMT2ALMNA
SCHEMBL3487314 0.79 CCR1 (0.44) PARP1SIGMAR1KDM4ETDP1POLB
SCHEMBL22208127 0.79 POLB (0.46) HTTMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL23560353 0.78 MEN1 (0.39) HTTPIK3CDMEN1KMT2ALMNA
SCHEMBL22856079 0.78 TLR9 (0.38) HTTPIK3CDMEN1KMT2ALMNA
SCHEMBL21847058 0.78 ALDH1A1 (0.46) SIGMAR1ALDH1A1KDM4EPOLB

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-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed