SCHEMBL7569345

SCHEMBL7569345

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.69
ACE P12821 15/20 0.67
ACE2 Q9BYF1 4/20 0.53
CPA1 P15085 3/20 0.53
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL7568214 0.92 MME (0.81) MMEACEACE2CPA1
SCHEMBL7567122 0.92 MME (0.81) MMEACEACE2CPA1
SCHEMBL7567517 0.92 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567925 0.92 MME (0.77) MMEACEACE2CPA1
SCHEMBL7568906 0.92 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567870 0.89 MME (0.61) MMEACEACE2CPA1HDAC1
SCHEMBL8027344 0.89 MME (0.85) MMEACEACE2CPA1
SCHEMBL8017210 0.86 MME (0.74) MMEACEACE2CPA1
SCHEMBL7575118 0.86 MME (0.62) MMEACEACE2CPA1
SCHEMBL7565255 0.86 MME (0.69) MMEACEACE2CPA1

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