SCHEMBL5771404

SCHEMBL5771404

O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.79
DRD4 P21917 11/20 0.57
KCNH2 Q12809 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.47

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
SCHEMBL5778646 0.96 CCR3 (0.83) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5776594 0.93 CCR3 (0.70) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5618234 0.93 CCR3 (0.82) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL3922376 0.92 CCR3 (0.68) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL4496185 0.92 CCR3 (0.68) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5618925 0.92 CCR3 (0.81) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5778407 0.92 CCR3 (0.69) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5618008 0.92 CCR3 (0.69) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5618904 0.92 CCR3 (0.69) CCR3DRD4KCNH2CYP1A2CYP3A4
SCHEMBL5777643 0.92 CCR3 (0.69) CCR3DRD4KCNH2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed