SCHEMBL5791306

SCHEMBL5791306

CS(=O)(=O)Nc1ccc(C(=O)N2CCOC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.55
HRH1 P35367 12/20 0.55
KCNH2 Q12809 7/20 0.46
CCR2 P41597 3/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 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
SCHEMBL5790517 0.89 CCR3 (0.56) CCR3HRH1KCNH2CCR2EPHA2
SCHEMBL5349196 0.84 CCR3 (0.65) CCR3HRH1KCNH2
SCHEMBL5345571 0.84 CCR3 (0.65) CCR3HRH1KCNH2
SCHEMBL5786804 0.84 HRH1 (0.57) CCR3HRH1KCNH2
SCHEMBL5790564 0.83 HRH1 (0.58) CCR3HRH1KCNH2
SCHEMBL5787535 0.82 CCR3 (0.56) CCR3HRH1KCNH2
SCHEMBL5338616 0.81 HRH1 (0.69) CCR3HRH1KCNH2
SCHEMBL5348492 0.81 HRH1 (0.69) CCR3HRH1KCNH2
SCHEMBL5787626 0.81 HRH1 (0.58) CCR3HRH1KCNH2
SCHEMBL5788895 0.80 HRH1 (0.57) CCR3HRH1KCNH2

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-1430050-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE (ESPECIALLY CCR3) ACTIVITY ASTRAZENECA AB (SE) 2006-08-02 EP disclosed