SCHEMBL4035648

SCHEMBL4035648

O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.47
MMP13 P45452 6/20 0.47
MMP9 P14780 5/20 0.47
MMP3 P08254 3/20 0.47
MMP7 P09237 3/20 0.47
CHRM1 P11229 1/20 0.43
ADAM17 P78536 1/20 0.42
CAPN1 P07384 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
SCHEMBL4032560 0.93 MMP1 (0.43) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4032675 0.92 GAA (0.48) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4032585 0.88 MMP1 (0.49) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4035075 0.85 CHRM1 (0.40) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4036852 0.84 MMP1 (0.50) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4033651 0.83 GAA (0.56)
SCHEMBL4042256 0.83 POLB (0.46) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4036678 0.83 CA12 (0.47) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4036877 0.82 ALDH1A1 (0.52)
SCHEMBL4038551 0.82 MMP1 (0.45) MMP1MMP13MMP9MMP3MMP7

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