SCHEMBL7364989

SCHEMBL7364989

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
IL1RN P18510 1/20 0.55
ERAP2 Q6P179 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
REN P00797 1/20 0.55
CACNA1B Q00975 2/20 0.52
PTPN1 P18031 1/20 0.51
CAPN1 P07384 2/20 0.48
PPARG P37231 1/20 0.48
YAP1 P46937 1/20 0.48
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
MMP1 P03956 3/20 0.47
BCL2 P10415 1/20 0.47

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
SCHEMBL8179352 0.90 MME (0.56) MMEACECPA1ACE2MMP9
SCHEMBL7408594 0.89 REN (0.56) MMEACECPA1ACE2MMP9
SCHEMBL7338162 0.88 MME (0.56) MMEACECPA1ACE2MMP9
SCHEMBL7409019 0.86 MME (0.54) MMEACECPA1ACE2MMP9
SCHEMBL7364281 0.86 REN (0.52) MMEACECPA1ACE2MMP9
SCHEMBL7341833 0.85 CACNA1B (0.62) MMEACECPA1ACE2IL1RN
SCHEMBL7369445 0.85 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL8188648 0.85 MME (0.55) MMEACECPA1ACE2MMP9
SCHEMBL7367334 0.84 CACNA1B (0.54) MMEACECPA1ACE2MMP9
SCHEMBL7372294 0.84 CACNA1B (0.51) MMEACECPA1ACE2MMP9

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