SCHEMBL1504892

SCHEMBL1504892

CCN1CCN([C@@H](CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)OC)CC1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.84
MMP1 P03956 3/20 0.69
ADAM10 O14672 2/20 0.69
MMP3 P08254 2/20 0.67
ADAM9 Q13443 1/20 0.63
MMP2 P08253 3/20 0.54
MMP12 P39900 2/20 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
SCHEMBL1504895 1.00 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1504802 0.94 ADAM17 (0.88) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1504805 0.94 ADAM17 (0.88) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1504788 0.92 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1504786 0.92 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL10276111 0.91 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1504575 0.91 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM9
SCHEMBL1503643 0.91 ADAM17 (0.83) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504702 0.89 ADAM17 (0.84) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL1504733 0.88 ADAM17 (0.85) ADAM17MMP1ADAM10MMP3ADAM9

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