SCHEMBL6949600

SCHEMBL6949600

CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.44
ADAM17 P78536 1/20 0.44
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL6205807 0.84 EPHX1 (0.40) MMP3ADAM17EPHX1HPGDSMN1; SMN2
SCHEMBL27481273 0.84 HSD17B10 (0.44) EPHX1HPGDSMN1; SMN2HSD17B10MEN1
SCHEMBL18562140 0.81 MMP3 (0.40) MMP3ADAM17MEN1KMT2ACA1
SCHEMBL10201310 0.77 HPGD (0.42) EPHX1HPGDSMN1; SMN2HSD17B10MEN1
SCHEMBL18565380 0.75 CTSL (0.41) MMP3ADAM17MEN1KMT2APREP
SCHEMBL16611905 0.74 CHRM2 (0.39) EPHX1HPGDSMN1; SMN2HSD17B10PTPN2
SCHEMBL2848716 0.72 SMN1; SMN2 (0.60) SMN1; SMN2NPC1HSD17B10LMNANPSR1
SCHEMBL15307926 0.72 SMN1; SMN2 (0.60) SMN1; SMN2NPC1HSD17B10LMNANPSR1
SCHEMBL5403510 0.72 SMN1; SMN2 (0.60) SMN1; SMN2NPC1HSD17B10LMNANPSR1
SCHEMBL13140083 0.71 TSHR (0.52) SMN1; SMN2NPC1MEN1KMT2A

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-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-5994293-A Peptidyl compounds and their therapeutic use DARWIN DISCOVERY LTD. (GB) 1999-11-30 US disclosed