SCHEMBL6985273

SCHEMBL6985273

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)Cn1ccnc1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.59
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP2 P08253 7/20 0.37
MMP3 P08254 7/20 0.37
MMP7 P09237 6/20 0.37
MMP1 P03956 6/20 0.37
TBXAS1 P24557 2/20 0.36
MMP8 P22894 2/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL6980338 0.91 ADAM17 (0.54) ADAM17CYP3A4CYP2D6MMP2MMP3
SCHEMBL6984204 0.90 ADAM17 (0.64) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6986418 0.85 ADAM17 (0.70) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6984386 0.84 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6986296 0.84 ADAM17 (0.44) ADAM17CYP3A4CYP2D6MMP2MMP3
SCHEMBL6937771 0.84 ADAM17 (0.69) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942567 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL8097968 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942575 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942562 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP claimed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US claimed
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed