SCHEMBL2210495

SCHEMBL2210495

O=C(CSc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=[N+]([O-])c1cc(-c2csc(S)n2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.58
CCR1 P32246 5/20 0.58
MCHR1 Q99705 1/20 0.50
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
SIGMAR1 Q99720 6/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6753069 0.96 CCR3 (0.62) CCR3CCR1MCHR1ALDH1A1KDM4E
SCHEMBL2212794 0.91 CCR3 (0.59) CCR3CCR1MCHR1ALDH1A1KDM4E
SCHEMBL2213758 0.90 CCR3 (0.63) CCR3CCR1MCHR1ALDH1A1SIGMAR1
SCHEMBL2210125 0.89 CCR3 (0.67) CCR3CCR1MCHR1SIGMAR1MEN1
SCHEMBL2214427 0.87 CCR3 (0.65) CCR3CCR1MCHR1ALDH1A1KDM4E
SCHEMBL2209757 0.86 CCR3 (0.62) CCR3CCR1MCHR1ALDH1A1SIGMAR1
SCHEMBL2214179 0.84 CCR3 (0.64) CCR3CCR1MCHR1SIGMAR1MEN1
SCHEMBL2210708 0.84 CCR3 (0.68) CCR3CCR1MCHR1SIGMAR1MEN1
SCHEMBL2210858 0.84 CCR3 (0.64) CCR3CCR1MCHR1SIGMAR1MEN1
SCHEMBL2212834 0.82 CCR3 (0.62) CCR3CCR1MCHR1POLBSIGMAR1

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