SCHEMBL4034513

SCHEMBL4034513

O=C(NC(c1ccccc1)c1ccccc1)C1CN(S(=O)(=O)c2ccc3ncccc3c2)CCN1C(=O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.44
F2 P00734 5/20 0.44
CHRM5 P08912 2/20 0.42
CTSS P25774 1/20 0.40
CHRM1 P11229 1/20 0.40
ADAM17 P78536 1/20 0.40
GBA1 P04062 1/20 0.38
NAMPT P43490 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CAPN1 P07384 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
SCHEMBL4041186 0.93 CHRM5 (0.45) F10F2CHRM5CHRM1ADAM17
SCHEMBL4034722 0.88 F10 (0.46) F10F2CHRM5CTSSCHRM1
SCHEMBL1381762 0.86 GAA (0.49)
SCHEMBL4032774 0.79 GAA (0.54) SMN1; SMN2
SCHEMBL4032585 0.78 MMP1 (0.49) CHRM1CAPN1
SCHEMBL4034993 0.76 CACNA2D1 (0.48)
SCHEMBL4033974 0.74 MAPT (0.47) SMN1; SMN2
SCHEMBL4034091 0.73 GAA (0.49) CHRM5CHRM1SMN1; SMN2
SCHEMBL4034484 0.72 MMP1 (0.44) CHRM1CAPN1
SCHEMBL4032376 0.71 ALDH1A1 (0.53)

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