SCHEMBL4041186

SCHEMBL4041186

O=C(NC(c1ccccc1)c1ccccc1)C1CN(S(=O)(=O)c2ccc3ncccc3c2)CCN1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.45
ADAM17 P78536 1/20 0.44
CHRM1 P11229 1/20 0.44
GBA1 P04062 1/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
NAMPT P43490 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
CHRM4 P08173 1/20 0.39
HTR3A P46098 1/20 0.39
CAPN1 P07384 1/20 0.38
PABPC1 P11940 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL4034513 0.93 F10 (0.44) CHRM5ADAM17CHRM1GBA1F2
SCHEMBL4032585 0.84 MMP1 (0.49) CHRM1CAPN1
SCHEMBL4032774 0.83 GAA (0.54) SMN1; SMN2GAAALDH1A1
SCHEMBL4034722 0.81 F10 (0.46) CHRM5ADAM17CHRM1F2F10
SCHEMBL1381762 0.79 GAA (0.49) GAAALDH1A1
SCHEMBL4034484 0.78 MMP1 (0.44) CHRM1GAACAPN1
SCHEMBL4034091 0.78 GAA (0.49) CHRM5CHRM1SMN1; SMN2GAA
SCHEMBL4036727 0.75 CHRM1 (0.48) CHRM5CHRM1SMN1; SMN2GAACAPN1
SCHEMBL4036877 0.74 ALDH1A1 (0.52) CHRM5GAAUSP2ALDH1A1
SCHEMBL4032608 0.74 MMP1 (0.55) CHRM5CHRM1SMN1; SMN2GAAUSP2

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