SCHEMBL2767259

SCHEMBL2767259

COc1cc(-c2cc(CN3CCN(Cc4cc(-c5cc(OC)c(OC)c(OC)c5)n(Cc5cccnc5)n4)CC3)nn2Cc2cccnc2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
P2RX7 Q99572 1/20 0.45
PTGER2 P43116 4/20 0.45
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PTK2 Q05397 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
SLC16A3 O15427 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2765957 0.97 CHRNB2 (0.47) KDM4EGFERP2RX7PTGER2TGFBR1
SCHEMBL2763745 0.88 BCHE (0.49) TGFBR1ACVR1DRD2DRD4DRD3
SCHEMBL2764448 0.87 P2RX7 (0.47) KDM4EP2RX7PTK2SLC16A3MEN1
SCHEMBL2764588 0.87 P2RX7 (0.47) KDM4EP2RX7PTGER2PTK2SLC16A3
SCHEMBL2766860 0.84 SLC29A1 (0.50) KDM4ETGFBR1ACVR1DRD2DRD4
SCHEMBL2766026 0.79 KDM4E (0.45) KDM4ETGFBR1ACVR1MEN1ALDH1A1
SCHEMBL2766041 0.76 TDP1 (0.48) KDM4EP2RX7SLC16A3MEN1ALDH1A1
SCHEMBL2765235 0.76 TGFBR1 (0.45) KDM4ETGFBR1ACVR1DRD2DRD4
SCHEMBL2764396 0.76 KDM4E (0.49) KDM4ETGFBR1ACVR1MEN1ALDH1A1
SCHEMBL2764392 0.74 PDE4A (0.47) KDM4ESLC16A3MEN1ALDH1A1KMT2A

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