SCHEMBL6567411

SCHEMBL6567411

Cc1cccc(C)c1S(=O)(=O)NC(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 0.46
CCR3 P51677 17/20 0.46
KCNH2 Q12809 4/20 0.41
FPR2 P25090 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
P2RX7 Q99572 1/20 0.38

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
SCHEMBL6569229 0.83 HRH1 (0.47) HRH1CCR3KCNH2P2RX7
SCHEMBL6569359 0.81 HRH1 (0.38) HRH1CCR3KCNH2P2RX7
SCHEMBL6570411 0.79 HRH1 (0.45) HRH1CCR3KCNH2P2RX7
SCHEMBL6569264 0.79 CA1 (0.37) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL6570601 0.78 HRH1 (0.43) HRH1CCR3KCNH2
SCHEMBL6569095 0.77 HRH1 (0.42) HRH1CCR3KCNH2
SCHEMBL6569275 0.76 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL7016612 0.74 HRH1 (0.41) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL6569255 0.74 HRH1 (0.39) HRH1CCR3KCNH2
SCHEMBL6681927 0.74 SLC6A4 (0.43) HRH1CCR3KCNH2FPR2PROKR1

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