SCHEMBL4969159

SCHEMBL4969159

COc1cccc(C(=O)O)c1N1CCC(CN2CCC(Oc3ccc(Cl)cc3C)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.57
CCR3 P51677 19/20 0.57
KCNH2 Q12809 11/20 0.55
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4968656 0.91 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL4970174 0.90 HRH1 (0.60) HRH1CCR3KCNH2
SCHEMBL4968109 0.86 HRH1 (0.67) HRH1CCR3KCNH2
SCHEMBL4968718 0.85 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL4966840 0.84 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL4969444 0.84 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL4969428 0.82 SIGMAR1 (0.50) HRH1CCR3KCNH2
SCHEMBL4969201 0.82 HRH1 (0.64) HRH1CCR3KCNH2
SCHEMBL4969473 0.81 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL4968548 0.79 HRH1 (0.58) 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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed