SCHEMBL5770729

SCHEMBL5770729

O=C(NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)NOc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.66
DRD4 P21917 15/20 0.63
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
EPHX2 P34913 1/20 0.46

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
SCHEMBL5777113 0.88 DRD4 (0.65) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL5771404 0.87 CCR3 (0.79) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL5619077 0.85 CCR3 (0.59) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL5618925 0.85 CCR3 (0.81) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL4022970 0.85 DRD4 (0.68) CCR3DRD4
SCHEMBL5618051 0.84 CCR3 (0.67) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL4496185 0.84 CCR3 (0.68) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL3922376 0.84 CCR3 (0.68) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL5778646 0.83 CCR3 (0.83) CCR3DRD4MEN1LMNACYP1A2
SCHEMBL24087485 0.83 CCR3 (0.73) CCR3DRD4MEN1LMNACYP1A2

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