SCHEMBL4969428

SCHEMBL4969428

COc1cccc(C(=O)O)c1N1CCC(CN2CCC(Cc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR1A P08908 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.49
CCR3 P51677 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
CCR5 P51681 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL4970299 0.91 CCR3 (0.52) SIGMAR1HTR1ACYP2C9CYP2C19MAPK14
SCHEMBL4968189 0.90 CCR3 (0.51) SIGMAR1HTR1ACYP2C9CYP2C19MAPK14
SCHEMBL4969159 0.82 HRH1 (0.57) CCR3HRH1KCNH2
SCHEMBL4968718 0.78 HRH1 (0.62) CCR3HRH1KCNH2
SCHEMBL4969175 0.75 MAPT (0.53) SIGMAR1CCR3ALDH1A1KDM4EHRH1
SCHEMBL4968548 0.75 HRH1 (0.58) CCR3HRH1KCNH2
SCHEMBL4967412 0.72 CCR3 (0.55) SIGMAR1CCR3MEN1KMT2AHRH1
SCHEMBL4968656 0.72 HRH1 (0.56) CCR3HRH1KCNH2
SCHEMBL4970174 0.72 HRH1 (0.60) CCR3HRH1KCNH2
SCHEMBL4965723 0.70 CCR3 (0.57) 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