SCHEMBL5990826

SCHEMBL5990826

Cn1c(C(=O)NC[C@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)OC(=O)c2cc(=O)[nH]c(=O)n2C)cc(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.55
CCR3 P51677 20/20 0.55
KCNH2 Q12809 15/20 0.50
CCR1 P32246 1/20 0.49

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
SCHEMBL1929566 0.89 HRH1 (0.69) HRH1CCR3KCNH2CCR1
SCHEMBL5990820 0.86 HRH1 (0.65) HRH1CCR3KCNH2CCR1
SCHEMBL1928708 0.77 HRH1 (0.64) HRH1CCR3KCNH2CCR1
SCHEMBL5996130 0.77 HRH1 (0.64) HRH1CCR3KCNH2CCR1
SCHEMBL2915320 0.74 CCR3 (0.54) HRH1CCR3KCNH2CCR1
SCHEMBL6129274 0.73 HRH1 (0.80) HRH1CCR3KCNH2CCR1
SCHEMBL2922740 0.73 HRH1 (0.80) HRH1CCR3KCNH2CCR1
SCHEMBL2923445 0.73 HRH1 (0.65) HRH1CCR3KCNH2CCR1
SCHEMBL2924306 0.71 HRH1 (1.00) HRH1CCR3KCNH2CCR1
SCHEMBL5992722 0.70 HRH1 (0.51) HRH1CCR3KCNH2CCR1

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-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 WO disclosed