SCHEMBL4677378

SCHEMBL4677378

CCNC(=O)c1coc(CNC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.65
KCNH2 Q12809 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
EPHX2 P34913 1/20 0.43
DRD4 P21917 7/20 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
SCHEMBL4485562 0.93 CCR3 (0.66) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL13631396 0.92 CCR3 (0.70) CCR3KCNH2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4480424 0.91 CCR3 (0.69) CCR3KCNH2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4488350 0.91 CCR3 (0.69) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL4487731 0.90 CCR3 (0.63) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL4488910 0.89 CCR3 (0.51) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL5775895 0.89 CCR3 (0.79) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL6672716 0.88 CCR3 (0.67) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL4483480 0.88 CCR3 (0.67) CCR3KCNH2MEN1KMT2ALMNA
SCHEMBL4483720 0.88 CCR3 (0.62) CCR3KCNH2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP claimed