SCHEMBL2765833

SCHEMBL2765833

COc1cc(-c2nc(CCN3CCN(CCc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HTR7 P34969 3/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.43
ABCB1 P08183 3/20 0.42
ABCC1 P33527 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GFER P55789 1/20 0.41
SLC29A1 Q99808 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2765063 0.96 MAPT (0.45) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2766897 0.92 MAPT (0.46) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2765386 0.89 SLC29A1 (0.46) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2766572 0.86 HTR7 (0.61) HTR7KDM4EALDH1A1TDP1GAA
SCHEMBL2765186 0.83 HTR7 (0.57) HTR7KDM4EALDH1A1TDP1ABCB1
SCHEMBL2764078 0.82 MAPT (0.53) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL2764871 0.80 MAPT (0.51) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL2764643 0.79 KDM4E (0.70) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2763969 0.79 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL12718076 0.77 KDM4E (0.48) MAPTHTR7KDM4EALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed