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Sugi Predict / Compounds / SCHEMBL1504897

SCHEMBL1504897

SCHEMBL1504897

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 11/20 0.65
▸ ADAM10 O14672 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ MMP2 P08253 3/20 0.54
▸ MMP12 P39900 3/20 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
SCHEMBL1504791 0.92 ADAM17 (0.66) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1503661 0.91 ADAM17 (0.64) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504704 0.89 ADAM17 (0.66) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504659 0.88 ADAM17 (0.65) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504735 0.87 ADAM17 (0.68) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL6598965 0.82 ADAM17 (0.63) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504805 0.82 ADAM17 (0.88) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504802 0.82 ADAM17 (0.88) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504549 0.80 ADAM17 (0.65) ADAM17ADAM10MMP1MMP2MMP12
SCHEMBL1504892 0.80 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP12

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