SCHEMBL6986290

SCHEMBL6986290

CCC(CC)CC(/C=C/c1ccccc1)(C(=O)Cn1ccnc1)[C@@H](C(=O)NOCc1ccccc1)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
AGTR2 P50052 1/20 0.31
TBXAS1 P24557 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31

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
SCHEMBL6985861 0.85 HMOX2 (0.35) HRH4TBXAS1MMP2
SCHEMBL6981588 0.80 CAPN1 (0.40) CTSK
SCHEMBL7816001 0.78 CTSK (0.41) CYP19A1CYP11B1CYP11B2HRH4CTSS
SCHEMBL6980337 0.78 ADAM17 (0.33) CYP19A1AGTR2
SCHEMBL6981901 0.77 HRH4 (0.39) CYP19A1CYP11B1CYP11B2HRH4CTSS
SCHEMBL6982695 0.77 CTSS (0.33) CTSSCTSKAGTR2
SCHEMBL6986296 0.73 ADAM17 (0.44) CYP19A1CYP11B1CYP11B2HRH4CTSS
SCHEMBL6988970 0.71 ADAM17 (0.36) MMP1MMP2MMP3MMP7
SCHEMBL6937767 0.70 ADAM17 (0.39) MMP1MMP2MMP3MMP7
SCHEMBL6986412 0.70 ADAM17 (0.39) MMP1MMP2MMP3MMP7

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