SCHEMBL14110640

SCHEMBL14110640

COc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(C)c3Cl)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.77
CCR3 P51677 20/20 0.77
KCNH2 Q12809 9/20 0.77

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
SCHEMBL180383 0.93 HRH1 (0.80) HRH1CCR3KCNH2
SCHEMBL14110625 0.93 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL4149277 0.89 HRH1 (0.87) HRH1CCR3KCNH2
SCHEMBL4140558 0.89 HRH1 (0.87) HRH1CCR3KCNH2
SCHEMBL14110623 0.87 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180097 0.86 HRH1 (0.69) HRH1CCR3KCNH2
SCHEMBL5192122 0.86 HRH1 (0.65) HRH1CCR3KCNH2
SCHEMBL14110535 0.85 HRH1 (0.82) HRH1CCR3KCNH2
SCHEMBL180032 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL4157116 0.83 HRH1 (0.74) 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