SCHEMBL6569389

SCHEMBL6569389

Cc1ccc(S(=O)(=O)NC(=O)[N+]2(C3CCNCC3)CCC(Oc3ccc(F)cc3Cl)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.46
CCR3 P51677 7/20 0.46
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SCN1A P35498 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
UTS2R Q9UKP6 4/20 0.36
TP53 P04637 1/20 0.35
RORC P51449 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL6570421 0.82 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL6569275 0.78 HRH1 (0.46) HRH1CCR3KCNH2ALDH1A1EGFR
SCHEMBL6569255 0.74 HRH1 (0.39) HRH1CCR3KCNH2
SCHEMBL6569095 0.73 HRH1 (0.42) HRH1CCR3KCNH2UTS2R
SCHEMBL6570601 0.73 HRH1 (0.43) HRH1CCR3KCNH2
SCHEMBL5412815 0.72 HRH1 (0.84) HRH1CCR3KCNH2
SCHEMBL5369367 0.70 SLC6A2 (0.51) HRH1UTS2R
Hydrochloric Acid SCHEMBL4106087 0.69 SLC6A2 (0.50) HRH1UTS2R
SCHEMBL6570411 0.68 HRH1 (0.45) HRH1CCR3KCNH2
SCHEMBL6569229 0.67 HRH1 (0.47) HRH1CCR3KCNH2UTS2R

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