SCHEMBL8017169

SCHEMBL8017169

CC(=O)NCCOC(=O)[C@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.64
ACE P12821 13/20 0.64
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TACR1 P25103 1/20 0.40
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL8017397 0.94 MME (0.65) MMEACEHDAC1HDAC6CPA1
SCHEMBL8033713 0.93 MME (0.73) MMEACETACR1CPA1ACE2
SCHEMBL8032639 0.93 MME (0.71) MMEACECPA1ACE2
SCHEMBL27441360 0.89 MME (0.63) MMEACETACR1
SCHEMBL8017324 0.89 MME (0.63) MMEACETACR1
SCHEMBL8028762 0.88 MME (0.70) MMEACEHDAC1HDAC6TACR1
SCHEMBL8447391 0.88 MME (0.70) MMEACEHDAC1HDAC6TACR1
SCHEMBL8017245 0.88 MME (0.75) MMEACETACR1CPA1ACE2
SCHEMBL8017356 0.87 MME (0.58) MMEACE
SCHEMBL8027176 0.87 MME (0.73) 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