SCHEMBL7307137

SCHEMBL7307137

CC(C)[C@@](C#N)(CCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TACR2 P21452 5/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CTSL P07711 2/20 0.40
PTPN1 P18031 1/20 0.40
EPOR P19235 2/20 0.39
GPR34 Q9UPC5 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL7304422 0.81 CTSL (0.50) CTSL
SCHEMBL7315356 0.80 CTSS (0.46) CTSL
SCHEMBL7309770 0.79 EBP (0.44) CTSL
SCHEMBL7307758 0.78 EBP (0.43) CTSL
SCHEMBL7314206 0.78 EBP (0.43) CTSL
SCHEMBL7313580 0.78 FNTA (0.39) CTSL
SCHEMBL7312048 0.78 FNTA (0.39) CTSL
SCHEMBL7306274 0.78 EBP (0.39) CTSL
SCHEMBL7316235 0.78 FNTA (0.39) CTSL
SCHEMBL7316498 0.77 FNTA (0.39) CTSL

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed