SCHEMBL7370362

SCHEMBL7370362

COc1ccc(CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MMP1 P03956 8/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
CACNA1B Q00975 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MAOB P27338 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44

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
SCHEMBL7375477 0.97 MME (0.52) RENMMEACECPA1ACE2
SCHEMBL7406640 0.94 IL1RN (0.51) RENMMEACECPA1ACE2
SCHEMBL8188148 0.92 MME (0.48) RENMMEACECPA1ACE2
SCHEMBL7369221 0.92 MME (0.48) RENMMEACECPA1ACE2
SCHEMBL7405716 0.92 MME (0.48) RENMMEACECPA1ACE2
SCHEMBL24206195 0.92 MME (0.48) RENMMEACECPA1ACE2
SCHEMBL7371027 0.92 MME (0.51) RENMMEACECPA1ACE2
SCHEMBL7408957 0.92 MAOB (0.48) RENMMEACECPA1ACE2
SCHEMBL8193267 0.91 MME (0.49) RENMMEACECPA1ACE2
SCHEMBL7405764 0.90 MME (0.52) RENMMEACECPA1ACE2

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