SCHEMBL6981776

SCHEMBL6981776

CCCC(CC(C)CC)(C(=O)NN)C(=O)[C@H](NC(N)=O)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
CTSC P53634 1/20 0.37
MASP2 O00187 1/20 0.33
HTR2A P28223 3/20 0.32
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
Hydrochloric Acid SCHEMBL6982510 0.91 ADAM17 (0.39) ADAM17CTSCMASP2HTR2AGRIK1
SCHEMBL6987279 0.85 CTSC (0.32) CTSC
Hydrochloric Acid SCHEMBL7811423 0.85 ADAM17 (0.39) ADAM17CTSCMASP2HTR2AGRIK1
Hydrochloric Acid SCHEMBL6985991 0.85 ADAM17 (0.39) ADAM17CTSCMASP2HTR2AGRIK1
SCHEMBL6987148 0.80 CTSC (0.35) ADAM17CTSCMASP2HTR2AGRIK1
SCHEMBL6986618 0.78 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6941953 0.76 ADAM17 (0.39) ADAM17CTSCMASP2HTR2AGRIK1
Hydrochloric Acid SCHEMBL6983018 0.76 CTSC (0.35) ADAM17CTSCMASP2HTR2AGRIK1
SCHEMBL6984201 0.74 ADAM17 (0.37) ADAM17CTSC
SCHEMBL6987205 0.74 ADAM17 (0.37) ADAM17CTSC

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