SCHEMBL6569264

SCHEMBL6569264

CC(=O)Nc1nnc(S(=O)(=O)NC(=O)[N+]2(C3CCNCC3)CCC(Oc3ccc(Cl)c(Cl)c3)CC2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
P2RX7 Q99572 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
HRH1 P35367 12/20 0.36
CCR3 P51677 12/20 0.36
KCNH2 Q12809 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.33

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
SCHEMBL6567411 0.79 HRH1 (0.46) P2RX7FPR2PROKR1HRH1CCR3
SCHEMBL6569359 0.77 HRH1 (0.38) P2RX7HRH1CCR3KCNH2
SCHEMBL6569229 0.76 HRH1 (0.47) P2RX7HRH1CCR3KCNH2
SCHEMBL5416896 0.76 HRH1 (0.65) HRH1CCR3KCNH2
SCHEMBL5689537 0.76 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL5420195 0.76 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL6569275 0.71 HRH1 (0.46) HRH1CCR3KCNH2KMT2AMEN1
SCHEMBL6570411 0.70 HRH1 (0.45) P2RX7HRH1CCR3KCNH2
SCHEMBL6570601 0.70 HRH1 (0.43) HRH1CCR3KCNH2
SCHEMBL7016612 0.69 HRH1 (0.41) P2RX7FPR2PROKR1HRH1CCR3

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-1404667-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-07 EP disclosed
WO-2003004487-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-01-16 WO disclosed