SCHEMBL6977404

SCHEMBL6977404

C[C@@H](N)C(=O)C(C)(C[C@@](C)(CC1CCCC1)[C@H](C/C=C/c1ccccc1)C(=O)NO)C(=O)NN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.36
CTSC P53634 1/20 0.35
HTR2A P28223 3/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
OPRK1 P41145 1/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ADAM17 P78536 1/20 0.32
MMP2 P08253 3/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
ERAP1 Q9NZ08 2/20 0.31
METAP2 P50579 1/20 0.31
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 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
SCHEMBL6983563 0.91 ALDH1A1 (0.33) MASP2CTSCALDH1A1GAAADAM17
SCHEMBL6986114 0.90 ALDH1A1 (0.31) ALDH1A1GAAADAM17MMP1MMP9
SCHEMBL6986001 0.88 MASP2 (0.32) MASP2CTSC
SCHEMBL6988069 0.87 MASP2 (0.32) MASP2CTSC
SCHEMBL7937181 0.75 ADAM17 (0.35) MASP2CTSCALDH1A1GAAOPRK1
SCHEMBL6982221 0.72 REN (0.34) MASP2CTSCHTR2AALDH1A1GAA
SCHEMBL6986026 0.71 REN (0.33) MASP2CTSCHTR2AALDH1A1GAA
SCHEMBL6984895 0.70 CTSC (0.33) MASP2CTSC
SCHEMBL6979893 0.69 GRIK1 (0.33) MASP2CTSCHTR2AGRIK1GRIK2
SCHEMBL7937182 0.68 ADAM17 (0.36) CTSCALDH1A1GAAOPRK1ADAM17

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