SCHEMBL4038753

SCHEMBL4038753

O=C(NC(c1ccccc1)c1ccccc1)C1CN(C(=O)CCN2CCCCC2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC1 Q13547 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NAMPT P43490 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2R P25116 1/20 0.37
CHRM5 P08912 1/20 0.37
CCR4 P51679 3/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4035075 0.90 CHRM1 (0.40) CHRM1GAAMMP1MMP3MMP7
SCHEMBL4032608 0.85 MMP1 (0.55) CHRM1GAAMMP1MMP3MMP7
SCHEMBL4036727 0.85 CHRM1 (0.48) CHRM1GAAMMP1MMP3MMP7
SCHEMBL4038343 0.85 GAA (0.57) GAAUSP2ALDH1A1
SCHEMBL4032585 0.84 MMP1 (0.49) CHRM1MMP1MMP3MMP7MMP9
SCHEMBL4034091 0.83 GAA (0.49) CHRM1GAAMMP1MMP3MMP7
SCHEMBL4035407 0.82 MMP1 (0.51) GAAMMP1MMP3MMP7MMP9
SCHEMBL4038771 0.81 P2RX7 (0.45) ALDH1A1
SCHEMBL4034484 0.80 MMP1 (0.44) CHRM1GAAMMP1MMP3MMP7
SCHEMBL4035069 0.75 GAA (0.53) GAAUSP2ALDH1A1

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed