SCHEMBL7345744

SCHEMBL7345744

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.57
MME P08473 1/20 0.55
ACE P12821 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
PLG P00747 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
CTSS P25774 4/20 0.54
CTSL P07711 2/20 0.54
CTSK P43235 3/20 0.53
IL1RN P18510 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
PTPN1 P18031 1/20 0.51
KLKB1 P03952 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7342769 0.93 PLG (0.64) RENMMEACECPA1ACE2
SCHEMBL7341943 0.92 CTSS (0.53) RENMMEACECPA1ACE2
SCHEMBL7341971 0.90 REN (0.55) RENMMEACECPA1ACE2
SCHEMBL7337028 0.90 PSMB1 (0.58) MMEACECPA1ACE2IL1RN
SCHEMBL7346203 0.90 CTSS (0.53) RENMMEACECPA1ACE2
SCHEMBL7337461 0.90 MMP8 (0.57) RENMMEACECPA1ACE2
SCHEMBL7338161 0.90 CTSS (0.51) RENMMEACECPA1ACE2
SCHEMBL7340618 0.89 CTSS (0.50) RENMMEACECPA1ACE2
SCHEMBL7340564 0.89 CTSS (0.52) RENMMEACECPA1ACE2
SCHEMBL7346128 0.87 MME (0.58) 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