SCHEMBL6981382

SCHEMBL6981382

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCc1ccccc1)(CC(C)C)C(=O)CC(=O)n1ccnc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.32
MMP3 P08254 1/20 0.30

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
SCHEMBL6982283 0.85 REN (0.36) RENMMP3
SCHEMBL7805463 0.83 MEN1 (0.30) MMP3
SCHEMBL6981386 0.80 REN (0.38) RENMMP3
SCHEMBL6984090 0.78 AGTR2 (0.32)
SCHEMBL7812670 0.77 GPR88 (0.32) MMP3
SCHEMBL6986852 0.75 EPHX2 (0.32) MMP3
SCHEMBL6981387 0.75 MMP1 (0.36) REN
SCHEMBL6983113 0.74 CYP1A2 (0.36) REN
SCHEMBL6986860 0.74 MMP3 (0.35) RENMMP3
SCHEMBL6978345 0.74

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-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