SCHEMBL7366263

SCHEMBL7366263

CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.51
ACE P12821 3/20 0.51
CPA1 P15085 3/20 0.51
ACE2 Q9BYF1 3/20 0.51
REN P00797 2/20 0.47
CACNA1B Q00975 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
MAOB P27338 1/20 0.45
PSMB5 P28074 3/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL7371938 0.91 MME (0.50) MMEACECPA1ACE2REN
SCHEMBL7370105 0.91 MME (0.50) MMEACECPA1ACE2REN
SCHEMBL7365335 0.91 MME (0.49) MMEACECPA1ACE2REN
SCHEMBL8187654 0.91 MME (0.49) MMEACECPA1ACE2REN
SCHEMBL7375477 0.90 MME (0.52) MMEACECPA1ACE2REN
SCHEMBL7405764 0.90 MME (0.52) MMEACECPA1ACE2REN
SCHEMBL7409019 0.89 MME (0.54) MMEACECPA1ACE2REN
SCHEMBL8177676 0.87 MME (0.50) MMEACECPA1ACE2REN
SCHEMBL7373220 0.87 MME (0.52) MMEACECPA1ACE2REN
SCHEMBL7406640 0.87 IL1RN (0.51) MMEACECPA1ACE2REN

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-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed