SCHEMBL2213261

SCHEMBL2213261

NC(CO)C(=O)Nc1cccc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.56
CCR1 P32246 5/20 0.56
SIGMAR1 Q99720 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DRD2 P14416 2/20 0.40
ADRA1A P35348 1/20 0.40
MCHR1 Q99705 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
ACKR3 P25106 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
SCHEMBL2213254 1.00 CCR3 (0.56) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2212053 0.93 CCR3 (0.55) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2213144 0.93 CCR3 (0.56) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2215033 0.93 CCR3 (0.56) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2211850 0.93 CCR3 (0.54) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2213728 0.93 CCR3 (0.57) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2210819 0.93 CCR3 (0.57) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL12511802 0.92 CCR3 (0.58) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2213896 0.92 CCR3 (0.55) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2213891 0.92 CCR3 (0.55) CCR3CCR1SIGMAR1MEN1KMT2A

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-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP disclosed