SCHEMBL6568905

SCHEMBL6568905

O=C(NS(=O)(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.46
CCR3 P51677 8/20 0.46
KCNH2 Q12809 4/20 0.46
UTS2R Q9UKP6 4/20 0.42
P2RX7 Q99572 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN9A Q15858 1/20 0.37
LGALS8 O00214 1/20 0.37
LGALS3 P17931 1/20 0.37

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
SCHEMBL6569252 0.80 HRH1 (0.54) HRH1CCR3KCNH2
SCHEMBL6570586 0.80 CCR3 (0.39) HRH1CCR3KCNH2UTS2RP2RX7
SCHEMBL6570664 0.78 SLC6A2 (0.48) HRH1CCR3KCNH2UTS2RP2RX7
SCHEMBL6568478 0.77 HRH1 (0.48) HRH1CCR3KCNH2UTS2R
SCHEMBL6569446 0.76 CCR3 (0.56) HRH1CCR3KCNH2UTS2R
SCHEMBL6570814 0.76 HRH1 (0.39) HRH1CCR3KCNH2UTS2R
SCHEMBL6567839 0.72 BCL9 (0.40) HRH1CCR3UTS2RSLC6A4SCN9A
SCHEMBL5415194 0.70 HRH1 (0.86) HRH1CCR3KCNH2
SCHEMBL6568359 0.70 CCR8 (0.41) HRH1CCR3FLT1FLT4KDR
SCHEMBL942585 0.70 SLC6A2 (0.69) HRH1UTS2RP2RX7SLC6A2SLC6A4

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