SCHEMBL4678610

SCHEMBL4678610

Cc1nc(CNC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.63
DRD4 P21917 9/20 0.44
PPARA Q07869 1/20 0.43
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL4492622 0.92 CCR3 (0.61) CCR3DRD4PPARAKCNH2MEN1
SCHEMBL4493568 0.84 CCR3 (0.66) CCR3DRD4KCNH2MEN1LMNA
SCHEMBL4472950 0.84 CCR3 (0.66) CCR3DRD4KCNH2MEN1LMNA
SCHEMBL1810067 0.83 CCR3 (0.50) CCR3DRD4PPARAKCNH2MEN1
SCHEMBL1810065 0.83 CCR3 (0.50) CCR3DRD4PPARAKCNH2MEN1
SCHEMBL5778646 0.83 CCR3 (0.83) CCR3DRD4KCNH2MEN1LMNA
SCHEMBL5771404 0.83 CCR3 (0.79) CCR3DRD4KCNH2MEN1LMNA
SCHEMBL4480034 0.83 CCR3 (0.69) CCR3DRD4KCNH2MEN1LMNA
Hydrochloric Acid SCHEMBL1809715 0.83 CCR3 (0.49) CCR3DRD4PPARAKCNH2MEN1
Hydrochloric Acid SCHEMBL1809716 0.83 CCR3 (0.49) CCR3DRD4PPARAKCNH2MEN1

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 5 patents. 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
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed