SCHEMBL7375477

SCHEMBL7375477

CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.52
ACE P12821 3/20 0.52
CPA1 P15085 3/20 0.52
ACE2 Q9BYF1 3/20 0.52
REN P00797 1/20 0.49
CACNA1B Q00975 2/20 0.49
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MAOB P27338 2/20 0.48
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
PPARG P37231 1/20 0.45
PTPN1 P18031 1/20 0.44
BCL2 P10415 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL7406640 0.97 IL1RN (0.51) MMEACECPA1ACE2REN
SCHEMBL7370362 0.97 REN (0.49) MMEACECPA1ACE2REN
SCHEMBL8188148 0.96 MME (0.48) MMEACECPA1ACE2REN
SCHEMBL7369221 0.96 MME (0.48) MMEACECPA1ACE2REN
SCHEMBL7371027 0.96 MME (0.51) MMEACECPA1ACE2REN
SCHEMBL24206195 0.96 MME (0.48) MMEACECPA1ACE2REN
SCHEMBL7405716 0.96 MME (0.48) MMEACECPA1ACE2REN
SCHEMBL7408957 0.95 MAOB (0.48) MMEACECPA1ACE2REN
SCHEMBL8193267 0.94 MME (0.49) MMEACECPA1ACE2REN
SCHEMBL7405764 0.93 MME (0.52) 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