SCHEMBL2765063

SCHEMBL2765063

COc1cc(-c2nc(CCN3CCCN(CCc4csc(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTR7 P34969 3/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC29A1 Q99808 3/20 0.43
KCNH2 Q12809 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
ABCC4 O15439 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL2765833 0.96 MAPT (0.47) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2765386 0.93 SLC29A1 (0.46) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2766897 0.89 MAPT (0.46) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2765186 0.88 HTR7 (0.57) HTR7KDM4EALDH1A1TDP1KCNH2
SCHEMBL2766572 0.83 HTR7 (0.61) HTR7KDM4EALDH1A1TDP1KCNH2
SCHEMBL2764078 0.79 MAPT (0.53) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL12718076 0.78 KDM4E (0.48) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2764871 0.77 MAPT (0.51) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL2764643 0.76 KDM4E (0.70) MAPTHTR7KDM4EALDH1A1TDP1
SCHEMBL2763969 0.76 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TDP1MAPK1

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