SCHEMBL2909451

SCHEMBL2909451

COc1ccc(NCc2cccnc2CC2CCNCC2)nc1O[C@@H]1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.38
GRM4 Q14833 5/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 2/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL2906226 0.81 CCNT1 (0.41) SYKGRM4CYP3A4CYP2C19
SCHEMBL5655346 0.69 IRAK4 (0.36) KDM4EMEN1TSHRKMT2ATDP1
SCHEMBL2910038 0.68 SYK (0.39) SYKGRM4NTRK1
SCHEMBL2909504 0.68 SYK (0.41) SYKKDM4EMEN1KMT2ATDP1
SCHEMBL4136062 0.68 PDE4D (0.37) SYKLRRK2KDM4EMEN1KMT2A
SCHEMBL2908807 0.68 PDE4D (0.37) SYKLRRK2KDM4EMEN1KMT2A
SCHEMBL2901842 0.66 PDE4D (0.38) SYKCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2905403 0.64 PDE4D (0.44) LRRK2
SCHEMBL2903176 0.64 PDE4D (0.44) LRRK2
SCHEMBL5820437 0.63 MAP4K4 (0.41) TSHR

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-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP claimed