SCHEMBL2212586

SCHEMBL2212586

CC(=O)Nc1ccc(-c2csc(SCCCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.51
CCR1 P32246 5/20 0.51
SIGMAR1 Q99720 2/20 0.47
MCHR1 Q99705 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39

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
Hydrochloric Acid SCHEMBL6103660 0.99 CCR3 (0.50) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL12511626 0.93 CCR3 (0.51) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL2211170 0.92 CCR3 (0.60) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL2213688 0.92 CCR3 (0.48) CCR3CCR1SIGMAR1MCHR1MEN1
Hydrochloric Acid SCHEMBL2215172 0.91 CCR3 (0.60) CCR3CCR1SIGMAR1MCHR1MEN1
Hydrochloric Acid SCHEMBL2214048 0.90 CCR3 (0.55) CCR3CCR1SIGMAR1MCHR1MEN1
Hydrochloric Acid SCHEMBL2215910 0.90 CCR3 (0.48) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL2214242 0.88 CCR3 (0.52) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL2211959 0.84 CCR3 (0.59) CCR3CCR1SIGMAR1MCHR1MEN1
SCHEMBL2213572 0.83 CCR3 (0.57) CCR3CCR1SIGMAR1MCHR1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed