SCHEMBL1504786

SCHEMBL1504786

COC(=O)[C@H](CNC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.84
MMP1 P03956 6/20 0.68
ADAM10 O14672 2/20 0.68
MMP3 P08254 6/20 0.65
MMP2 P08253 3/20 0.64
MMP12 P39900 2/20 0.64
ADAM9 Q13443 2/20 0.58

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
SCHEMBL1504788 1.00 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504785 0.94 ADAM17 (0.88) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504790 0.94 ADAM17 (0.88) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504895 0.92 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504892 0.92 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504737 0.92 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL10276591 0.92 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1503643 0.90 ADAM17 (0.83) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504901 0.89 ADAM17 (0.80) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504904 0.89 ADAM17 (0.80) ADAM17MMP1ADAM10MMP3MMP2

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