SCHEMBL5683255

SCHEMBL5683255

COc1cc(-c2cccc(CN3CCCN(Cc4cccc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.58
KDM4E B2RXH2 2/20 0.57
HTR7 P34969 2/20 0.55
POLB P06746 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
SLC29A1 Q99808 1/20 0.51
MCL1 Q07820 1/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL5681800 0.96 DRD4 (0.62) DRD4KDM4EHTR7POLBUSP2
SCHEMBL7159444 0.89 DRD4 (0.49) DRD4KDM4EHTR7SLC29A1MCL1
SCHEMBL5679807 0.85 KDM4E (0.61) KDM4EPOLBUSP2LMNATHRB
SCHEMBL7158321 0.84 DRD4 (0.52) DRD4KDM4EHTR7USP2LMNA
SCHEMBL14396763 0.83 DRD4 (0.44) DRD4KDM4EHTR7POLBSLC29A1
Fumaric Acid SCHEMBL4772454 0.81 SLC29A1 (0.46) DRD4POLBSLC29A1MCL1DRD2
Fumaric Acid SCHEMBL4772459 0.81 SLC29A1 (0.46) DRD4POLBSLC29A1MCL1DRD2
SCHEMBL6565335 0.80 KDM4E (0.56) DRD4KDM4EPOLBUSP2LMNA
SCHEMBL6568492 0.80 TGFBR1 (0.62) KDM4EPOLBUSP2LMNATHRB
SCHEMBL26126334 0.79 HTR7 (0.59) DRD4HTR7DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509329-B1 Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation KOWA CO., LTD. (JP) 2003-01-21 US claimed
EP-1403249-B1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS KOWA CO (JP) 2006-03-15 EP disclosed
EP-1403249-A1 CYCLIC DIAMINE COMPOUNDS BEARING SIX-MEMBERED CYCLIC GROUPS Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6509329-B1 Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation KOWA CO., LTD. (JP) 2003-01-21 US disclosed