SCHEMBL8033713

SCHEMBL8033713

CC(=O)NCCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.73
ACE P12821 13/20 0.73
TACR1 P25103 1/20 0.46
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
ACACB O00763 1/20 0.39
CTSK P43235 1/20 0.38

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
SCHEMBL8017245 0.94 MME (0.75) MMEACETACR1CPA1ACE2
SCHEMBL8017169 0.93 MME (0.64) MMEACETACR1CPA1ACE2
SCHEMBL27441360 0.90 MME (0.63) MMEACETACR1CTSB
SCHEMBL8017324 0.90 MME (0.63) MMEACETACR1CTSB
SCHEMBL8032639 0.89 MME (0.71) MMEACECPA1ACE2CTSB
SCHEMBL8017397 0.87 MME (0.65) MMEACECPA1ACE2
SCHEMBL8447827 0.87 MME (0.81) MMEACETACR1CPA1ACE2
SCHEMBL8027565 0.87 MME (0.81) MMEACETACR1CPA1ACE2
SCHEMBL8017356 0.85 MME (0.58) MMEACE
SCHEMBL8027151 0.85 MME (1.00) MMEACECPA1ACE2

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
EP-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed