SCHEMBL3467491

SCHEMBL3467491

COc1cc(OC(C=O)N2CCC(Oc3ccc(F)cc3)CC2)c(N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.40
CCR3 P51677 9/20 0.40
KCNH2 Q12809 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
FPR2 P25090 2/20 0.37
PROKR1 Q8TCW9 2/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2796876 0.76 EPHX2 (0.46) SMN1; SMN2EPHX2
SCHEMBL3467746 0.75 HRH3 (0.39) HRH1CCR3KCNH2SMN1; SMN2GAA
SCHEMBL2794617 0.68 DRD4 (0.51) HRH1CCR3KCNH2SMN1; SMN2
SCHEMBL2799432 0.67 SIGMAR1 (0.49) HRH1CCR3HRH3KDM4E
SCHEMBL1010704 0.67 SCD (0.51) HRH1CCR3
Hydrochloric Acid SCHEMBL1010471 0.66 SCD (0.50) HRH1CCR3
SCHEMBL14423906 0.65 HRH3 (0.66) HRH3
SCHEMBL7506349 0.64 HRH3 (0.42) SMN1; SMN2HRH3
SCHEMBL27675181 0.64 GAA (0.62) GAA
SCHEMBL6992881 0.64 LIPG (0.41) HRH1CCR3HRH3

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
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed