SCHEMBL14110563

SCHEMBL14110563

COC(=O)C(Cc1ccc(Cl)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 20/20 0.83
▸ CCR3 P51677 20/20 0.83
▸ KCNH2 Q12809 12/20 0.83

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
SCHEMBL14110533 0.95 HRH1 (0.87) HRH1CCR3KCNH2
SCHEMBL14110637 0.94 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL14110627 0.93 HRH1 (0.84) HRH1CCR3KCNH2
SCHEMBL4208805 0.93 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL4225035 0.91 HRH1 (0.73) HRH1CCR3KCNH2
SCHEMBL18841175 0.91 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL14110529 0.91 HRH1 (0.85) HRH1CCR3KCNH2
Hydrochloric Acid SCHEMBL14110628 0.90 HRH1 (0.98) HRH1CCR3KCNH2
SCHEMBL14110564 0.88 HRH1 (0.86) HRH1CCR3KCNH2
SCHEMBL18841177 0.88 HRH1 (1.00) HRH1CCR3KCNH2

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-1620400-B1 piperidinylmethylpiperidine derivatives and their use as chemokine modulators ASTRAZENECA AB (SE) 2012-12-05 — — EP disclosed
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