SCHEMBL6986296

SCHEMBL6986296

CCC(CC)CN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOCc1ccccc1)C(=O)Cn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.44
MMP2 P08253 6/20 0.33
MMP3 P08254 6/20 0.33
MMP7 P09237 5/20 0.33
MMP1 P03956 5/20 0.33
CYP19A1 P11511 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MMP8 P22894 2/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6984386 0.94 ADAM17 (0.44) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6982847 0.88 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6987004 0.88 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6985273 0.84 ADAM17 (0.59) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6987013 0.82 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6984132 0.82 ADAM17 (0.42) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6981590 0.80 ADAM17 (0.43) ADAM17CTSSCTSK
SCHEMBL6982700 0.79 MMP1 (0.42) MMP1MMP8MMP13CYP3A4CYP2D6
SCHEMBL6981905 0.78 HRH4 (0.39) CYP19A1HRH4CTSSCTSKCYP11B1
SCHEMBL6984118 0.77 ADAM17 (0.45) 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 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
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed