SCHEMBL7567435

SCHEMBL7567435

CC(C)CN(CC(CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.64
ACE P12821 11/20 0.64
CPA1 P15085 4/20 0.49
ACE2 Q9BYF1 3/20 0.49
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44

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
SCHEMBL7572405 0.95 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572401 0.95 MME (0.71) MMEACECPA1ACE2
SCHEMBL7568387 0.95 MME (0.71) MMEACECPA1ACE2
SCHEMBL7567269 0.95 MME (0.71) MMEACECPA1ACE2
SCHEMBL7569081 0.92 MME (0.57) MMEACECPA1ACE2ITGB1
SCHEMBL7569082 0.92 MME (0.57) MMEACECPA1ACE2ITGB1
SCHEMBL7570079 0.91 MME (0.58) MMEACECPA1ACE2ITGB1
SCHEMBL7565980 0.90 MME (0.70) MMEACECPA1ACE2
SCHEMBL7565973 0.90 MME (0.70) MMEACECPA1ACE2
SCHEMBL7566033 0.89 MME (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed