SCHEMBL7339406

SCHEMBL7339406

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.55
ERAP2 Q6P179 2/20 0.55
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
IL1RN P18510 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
OPRD1 P41143 5/20 0.52
OPRM1 P35372 4/20 0.52
OPRK1 P41145 1/20 0.52
PPARG P37231 3/20 0.52
LTA4H P09960 2/20 0.52
LAP3 P28838 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 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
SCHEMBL7341066 0.92 MME (0.52) LNPEPERAP2MMEACECPA1
SCHEMBL5833943 0.91 MME (0.52) LNPEPERAP2MMEACECPA1
SCHEMBL5833946 0.91 MME (0.52) LNPEPERAP2MMEACECPA1
SCHEMBL7338162 0.89 MME (0.56) ERAP2MMEACECPA1ACE2
SCHEMBL5832913 0.89 GPR132 (0.54) LNPEPMMEACECPA1ACE2
SCHEMBL5832910 0.89 GPR132 (0.54) LNPEPMMEACECPA1ACE2
SCHEMBL5832735 0.88 LTA4H (0.61) LNPEPMMEACECPA1ACE2
SCHEMBL2860639 0.88 LTA4H (0.61) LNPEPMMEACECPA1ACE2
Hydrochloric Acid SCHEMBL5832752 0.87 LTA4H (0.60) LNPEPMMEACECPA1ACE2
Hydrochloric Acid SCHEMBL5832756 0.87 LTA4H (0.60) LNPEPMMEACECPA1ACE2

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