SCHEMBL7346128

SCHEMBL7346128

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.58
ACE P12821 3/20 0.58
CPA1 P15085 3/20 0.58
ACE2 Q9BYF1 3/20 0.58
IL1RN P18510 1/20 0.55
ERAP2 Q6P179 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
PTPN1 P18031 1/20 0.51
REN P00797 2/20 0.49
PPARG P37231 2/20 0.48
LTA4H P09960 2/20 0.48
KLKB1 P03952 2/20 0.48

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
SCHEMBL7335837 0.89 MME (0.56) MMEACECPA1ACE2IL1RN
SCHEMBL7336730 0.89 IL1RN (0.53) MMEACECPA1ACE2IL1RN
SCHEMBL7338318 0.89 IL1RN (0.56) MMEACECPA1ACE2IL1RN
SCHEMBL7340352 0.89 IL1RN (0.52) MMEACECPA1ACE2IL1RN
SCHEMBL7345226 0.88 IL1RN (0.55) MMEACECPA1ACE2IL1RN
SCHEMBL7339872 0.88 IL1RN (0.55) MMEACECPA1ACE2IL1RN
SCHEMBL7344077 0.88 PPARG (0.60) MMEACECPA1ACE2IL1RN
SCHEMBL7345744 0.87 REN (0.57) MMEACECPA1ACE2IL1RN
SCHEMBL7337028 0.87 PSMB1 (0.58) MMEACECPA1ACE2IL1RN
SCHEMBL7338054 0.86 IL1RN (0.53) 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