SCHEMBL6935193

SCHEMBL6935193

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.66
LTA4H P09960 1/20 0.56
MMP2 P08253 3/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
ACE P12821 4/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
FOLH1 Q04609 1/20 0.53
MMP1 P03956 2/20 0.52
MMP3 P08254 2/20 0.52

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
SCHEMBL24764799 0.90 MME (0.61) MMEACECPA1ACE2
SCHEMBL24764795 0.90 MME (0.61) MMEACECPA1ACE2
SCHEMBL7292059 0.85 MME (0.71) MMELTA4HMMP2MMP7MMP9
SCHEMBL30522090 0.85 MME (0.71) MMELTA4HMMP2MMP7MMP9
SCHEMBL9069255 0.85 MME (0.71) MMELTA4HMMP2MMP7MMP9
SCHEMBL31326264 0.84 MME (0.69) MMELTA4HMMP2MMP7MMP9
SCHEMBL15692325 0.84 MME (0.69) MMELTA4HMMP2MMP7MMP9
SCHEMBL2622217 0.83 NPSR1 (0.55) MMEMMP2MMP9ACECPA1
SCHEMBL9223334 0.83 NPSR1 (0.55) MMEMMP2MMP9ACECPA1
SCHEMBL1061398 0.83 NPSR1 (0.55) MMEMMP2MMP9ACECPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed