SCHEMBL6947136

SCHEMBL6947136

Cc1ccccc1NNC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
P2RX7 Q99572 1/20 0.39
GAA P10253 2/20 0.38
ANPEP P15144 1/20 0.38
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
HTR2A P28223 2/20 0.33

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
SCHEMBL6942710 0.88 ADAM17 (0.46) ADAM17GAAMMP1MMP2MMP9
SCHEMBL6942460 0.84 ADAM17 (0.46) ADAM17MMP1MMP2MAPK1GRIK1
SCHEMBL6944086 0.83 ADAM17 (0.42) ADAM17GAAMMP1MMP2MMP9
SCHEMBL6220497 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6986484 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6984686 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6220493 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6220502 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6220496 0.83 ADAM17 (0.48) ADAM17TDP1MAPK1GRIK1GRIK2
SCHEMBL6219850 0.82 ADAM17 (0.46) ADAM17GRIK1GRIK2HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed