SCHEMBL8017245

SCHEMBL8017245

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

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.75
ACE P12821 14/20 0.75
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
TACR1 P25103 1/20 0.43
PIN1 Q13526 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL8033713 0.94 MME (0.73) MMEACECPA1ACE2TACR1
SCHEMBL8017397 0.93 MME (0.65) MMEACECPA1ACE2
SCHEMBL8032872 0.90 MME (0.64) MMEACECTSB
SCHEMBL7565990 0.89 MME (0.61) MMEACECPA1ACE2TACR1
SCHEMBL7566002 0.89 MME (0.61) MMEACECPA1ACE2TACR1
SCHEMBL8027176 0.89 MME (0.73) MMEACECPA1ACE2
SCHEMBL8511466 0.88 MME (0.77) MMEACECPA1ACE2PIN1
SCHEMBL8028693 0.88 MME (0.77) MMEACECPA1ACE2PIN1
SCHEMBL6439615 0.88 MME (0.77) MMEACECPA1ACE2PIN1
SCHEMBL6439617 0.88 MME (0.77) MMEACECPA1ACE2PIN1

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