SCHEMBL6933303

SCHEMBL6933303

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.65
CTSK P43235 8/20 0.65
REN P00797 1/20 0.61
CTSL P07711 5/20 0.60
HTRA1 Q92743 1/20 0.60
CTSS P25774 3/20 0.60
CTSB P07858 2/20 0.59

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
SCHEMBL4862861 0.94 CTSK (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL10880715 0.92 REN (0.70) CTSKRENCTSLCTSSCTSB
SCHEMBL15255353 0.91 REN (0.66) CAPN1CTSKRENCTSLCTSS
SCHEMBL9551300 0.91 REN (0.66) CAPN1CTSKRENCTSLCTSS
SCHEMBL9551248 0.90 REN (0.68) CAPN1CTSKRENCTSLHTRA1
SCHEMBL1980963 0.90 CTSK (0.76) CAPN1CTSKRENCTSLCTSS
SCHEMBL1980967 0.90 CTSK (0.76) CAPN1CTSKRENCTSLCTSS
SCHEMBL10349214 0.89 CTSK (0.69) CAPN1CTSKRENCTSLHTRA1
SCHEMBL7607055 0.89 CTSK (0.69) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL30645061 0.89 CTSL (0.61) CAPN1CTSKCTSLCTSSCTSB

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 10 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
EP-0073829-B1 RAPID, QUANTITATIVE PEPTIDE SYNTHESIS USING MIXED ANHYDRIDES BIORESEARCH INC. (US) 1986-01-29 EP disclosed
EP-0073829-A4 RAPID, QUANTITATIVE PEPTIDE SYNTHESIS USING MIXED ANHYDRIDES. BIORES INC (US) 1983-11-09 EP disclosed
EP-0073829-A1 RAPID, QUANTITATIVE PEPTIDE SYNTHESIS USING MIXED ANHYDRIDES. BIORESEARCH INC (US) 1983-03-16 EP disclosed
US-4351762-A Rapid, quantitative peptide synthesis using mixed anhydrides BIORESEARCH, INC. (US) 1982-09-28 US disclosed
WO-1982003078-A1 RAPID,QUANTITATIVE PEPTIDE SYNTHESIS USING MIXED ANHYDRIDES BIORESEARCH INC (US) 1982-09-16 WO disclosed