SCHEMBL1504791

SCHEMBL1504791

Cc1cc(COc2ccc(C(=O)NC[C@@](C)(C(=O)O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.66
MMP2 P08253 3/20 0.65
MMP12 P39900 2/20 0.65
MMP3 P08254 1/20 0.54
ADAM10 O14672 1/20 0.54
MMP1 P03956 1/20 0.54

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
SCHEMBL1504897 0.92 ADAM17 (0.65) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL1503661 0.89 ADAM17 (0.64) ADAM17MMP2MMP12ADAM10MMP1
SCHEMBL1504549 0.88 ADAM17 (0.65) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504704 0.87 ADAM17 (0.66) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504735 0.85 ADAM17 (0.68) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504790 0.82 ADAM17 (0.88) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504785 0.82 ADAM17 (0.88) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL6598965 0.81 ADAM17 (0.63) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504788 0.80 ADAM17 (0.84) ADAM17MMP2MMP12MMP3ADAM10
SCHEMBL1504786 0.80 ADAM17 (0.84) ADAM17MMP2MMP12MMP3ADAM10

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
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed