SCHEMBL7340564

SCHEMBL7340564

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCNCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
CTSL P07711 3/20 0.51
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
REN P00797 1/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MMP8 P22894 2/20 0.48
MMP9 P14780 1/20 0.48
PTPN1 P18031 1/20 0.48
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB9 P28065 1/20 0.46

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
SCHEMBL7341943 0.94 CTSS (0.53) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7346203 0.92 CTSS (0.53) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7341971 0.91 REN (0.55) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7345744 0.89 REN (0.57) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7367403 0.88 CTSS (0.51) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7346541 0.87 REN (0.47) CTSSCTSKIL1RNERAP2ERAP1
SCHEMBL7337028 0.87 PSMB1 (0.58) IL1RNERAP2ERAP1MMEACE
SCHEMBL7337461 0.86 MMP8 (0.57) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7338161 0.86 CTSS (0.51) CTSSCTSKCTSLIL1RNERAP2
SCHEMBL7342769 0.85 PLG (0.64) RENMMEACECPA1ACE2

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed