SCHEMBL6981590

SCHEMBL6981590

CCC(CC)CN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOCc1ccccc1)C(=O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.43
CAPN1 P07384 1/20 0.40
CAPN2 P17655 1/20 0.40
HTT P42858 1/20 0.38
PSMB5 P28074 1/20 0.37
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
BMP1 P13497 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL6986888 0.94 ADAM17 (0.43) ADAM17CAPN1CAPN2HTTPSMB5
SCHEMBL6987004 0.80 ADAM17 (0.42) ADAM17HTTPSMB5
SCHEMBL6986296 0.80 ADAM17 (0.44) ADAM17CTSSCTSK
SCHEMBL6982847 0.80 ADAM17 (0.42) ADAM17PSMB5
SCHEMBL6984118 0.76 ADAM17 (0.45) ADAM17PSMB5CTSKCTSB
SCHEMBL6984386 0.74 ADAM17 (0.44) ADAM17PSMB5CTSSCTSK
SCHEMBL6984132 0.74 ADAM17 (0.42) ADAM17HTTPSMB5
SCHEMBL6987013 0.74 ADAM17 (0.42) ADAM17PSMB5
SCHEMBL6982257 0.73 ADAM17 (0.45) ADAM17PSMB5CTSK
SCHEMBL6988470 0.73 ADAM17 (0.64) ADAM17

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