SCHEMBL4968189

SCHEMBL4968189

COc1cccc(C(=O)O)c1N1CCC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.51
HRH1 P35367 12/20 0.51
KCNH2 Q12809 12/20 0.51
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CCR2 P41597 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44

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
SCHEMBL4969428 0.90 SIGMAR1 (0.50) CCR3HRH1KCNH2HTR1ASIGMAR1
SCHEMBL4970299 0.87 CCR3 (0.52) CCR3HTR1ASIGMAR1CYP2C9CYP2C19
SCHEMBL4968718 0.81 HRH1 (0.62) CCR3HRH1KCNH2
SCHEMBL4965723 0.81 CCR3 (0.57) CCR3HRH1KCNH2
SCHEMBL4969159 0.78 HRH1 (0.57) CCR3HRH1KCNH2
SCHEMBL4966171 0.77 CCR3 (0.55) CCR3HRH1KCNH2CCR2
SCHEMBL4965938 0.77 CCR3 (0.71) CCR3HRH1KCNH2MEN1KMT2A
SCHEMBL4968548 0.76 HRH1 (0.58) CCR3HRH1KCNH2
SCHEMBL4965732 0.73 CCR3 (0.57) CCR3HRH1KCNH2
SCHEMBL4969071 0.71 HRH1 (0.66) CCR3HRH1KCNH2

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