SCHEMBL7341971

SCHEMBL7341971

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.55
PLG P00747 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
IL1RN P18510 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
TACR2 P21452 3/20 0.50
CTSL P07711 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PTPN1 P18031 1/20 0.49
KLKB1 P03952 1/20 0.49

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) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7342769 0.91 PLG (0.64) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7340564 0.91 CTSS (0.52) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7345744 0.90 REN (0.57) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7337028 0.88 PSMB1 (0.58) MMEACECPA1ACE2IL1RN
SCHEMBL7338161 0.88 CTSS (0.51) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7346203 0.88 CTSS (0.53) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7337461 0.88 MMP8 (0.57) RENCTSSCTSKMMEACE
SCHEMBL7340618 0.87 CTSS (0.50) RENPLGPRSS1PRSS2PRSS3
SCHEMBL7335394 0.87 TACR2 (0.62) CTSSTACR2MMP9MMP8

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