SCHEMBL7338162

SCHEMBL7338162

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.56
ACE P12821 3/20 0.56
CPA1 P15085 3/20 0.56
ACE2 Q9BYF1 3/20 0.56
IL1RN P18510 1/20 0.55
ERAP2 Q6P179 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
REN P00797 2/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
CACNA1B Q00975 2/20 0.52
LTA4H P09960 3/20 0.51
PTPN1 P18031 1/20 0.49
PPARG P37231 2/20 0.48
LAP3 P28838 1/20 0.47
BCL2 P10415 1/20 0.47

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
SCHEMBL7346037 0.91 IL1RN (0.53) MMEACECPA1ACE2IL1RN
SCHEMBL7339698 0.91 IL1RN (0.53) MMEACECPA1ACE2IL1RN
SCHEMBL7339406 0.89 LNPEP (0.55) MMEACECPA1ACE2IL1RN
SCHEMBL7364989 0.88 MME (0.56) MMEACECPA1ACE2IL1RN
SCHEMBL7341980 0.88 MME (0.52) MMEACECPA1ACE2IL1RN
SCHEMBL7344077 0.88 PPARG (0.60) MMEACECPA1ACE2IL1RN
SCHEMBL7343134 0.87 MMP1 (0.52) MMP9MMP8CACNA1BLTA4H
SCHEMBL7348068 0.87 PSMB5 (0.51) MMEACECPA1ACE2ERAP2
SCHEMBL7421818 0.87 LTA4H (0.50) MMEACECPA1ACE2IL1RN
SCHEMBL7338616 0.87 IL1RN (0.56) MMEACECPA1ACE2IL1RN

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