SCHEMBL7345566

SCHEMBL7345566

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.55
GPR34 Q9UPC5 1/20 0.53
PSMB1 P20618 3/20 0.53
MME P08473 2/20 0.49
ACE P12821 2/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
TP53 P04637 1/20 0.48
SCN9A Q15858 1/20 0.48
LTA4H P09960 3/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
IDO1 P14902 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL7342507 0.89 LTA4H (0.52) MMEACECPA1ACE2LTA4H
SCHEMBL7335830 0.84 CACNA1B (0.52) PSMB5GPR34PSMB1
SCHEMBL7345070 0.83 HDAC8 (0.60) LTA4HIL1RNERAP2ERAP1HDAC8
SCHEMBL7348742 0.83 LTA4H (0.59) MMEACECPA1ACE2LTA4H
SCHEMBL7336536 0.83 LTA4H (0.59) MMEACECPA1ACE2LTA4H
SCHEMBL7342789 0.83 LTA4H (0.58) MMEACECPA1ACE2LTA4H
SCHEMBL7336924 0.82 PSMB5 (0.51) PSMB5GPR34PSMB1MMEACE
SCHEMBL7344263 0.82 MEN1 (0.55) PSMB5PSMB1MMEACECPA1
SCHEMBL7340297 0.82 LTA4H (0.57) MMEACECPA1ACE2LTA4H
SCHEMBL7336784 0.82 LTA4H (0.57) MMEACECPA1ACE2LTA4H

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