SCHEMBL7363096

SCHEMBL7363096

CNC(=O)[C@H](CCCCN)NC(=O)N(O)C(=O)CCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
KDM4C Q9H3R0 2/20 0.38
FOLH1 Q04609 1/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CPB2 Q96IY4 6/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
CPB1 P15086 1/20 0.34
MMP9 P14780 1/20 0.32
BMP1 P13497 2/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ADAM17 P78536 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
SCHEMBL7431867 0.90 BMP1 (0.41) NMT2NMT1KDM4CFOLH1KDM4A
SCHEMBL7354898 0.89 KDM4C (0.43) NMT2NMT1KDM4CFOLH1KDM4A
SCHEMBL7358045 0.78 KDM4C (0.39) KDM4CKDM4APHF8KDM2AMMP1
SCHEMBL7363203 0.77 MMP1 (0.40) MMP1MMP3MMP9ADAM17
SCHEMBL7360065 0.76 MMP1 (0.51) MMP1MMP3MMP9
SCHEMBL6411900 0.75 MMP3 (0.42) MMP1MMP3MMP9ADAM17
Hydrochloric Acid SCHEMBL6897077 0.73 NMT2 (0.38) NMT2NMT1FOLH1SIRT6SIRT1
SCHEMBL6416552 0.73 MMP1 (0.54) MMP1MMP3MMP9ADAM17
SCHEMBL6416222 0.73 MMP1 (0.39) FOLH1MMP1MMP3MMP9ADAM17
SCHEMBL7536562 0.73 FDPS (0.32) KDM4CKDM4APHF8KDM2A

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
US-5691382-A ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-11-25 US disclosed
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed