SCHEMBL3922376

SCHEMBL3922376

O=C(O)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.68
DRD4 P21917 13/20 0.59
SIGMAR1 Q99720 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD3 P35462 2/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP2D6 P10635 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
SCHEMBL4496185 1.00 CCR3 (0.68) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL5771404 0.92 CCR3 (0.79) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL30211803 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1810572 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1810573 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL24087485 0.90 CCR3 (0.73) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL4226628 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1808369 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1808367 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30211801 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4

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
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed