SCHEMBL7573798

SCHEMBL7573798

COC(=O)CCN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 0.71
ACE P12821 15/20 0.71
ACE2 Q9BYF1 9/20 0.52
CPA1 P15085 8/20 0.52
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
ITGB1 P05556 1/20 0.48
CTSB P07858 1/20 0.47

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
SCHEMBL7566049 0.92 MME (0.69) MMEACEACE2CPA1CTSB
SCHEMBL7567517 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567925 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7568906 0.91 MME (0.77) MMEACEACE2CPA1
SCHEMBL7569387 0.90 MME (0.67) MMEACEACE2CPA1CTSB
SCHEMBL7565484 0.90 MME (0.67) MMEACEACE2CPA1CTSB
SCHEMBL7567284 0.90 MME (0.63) MMEACEACE2CPA1ITGA4
SCHEMBL7568360 0.89 MME (0.66) MMEACEACE2CPA1CTSB
SCHEMBL7567838 0.89 MME (0.66) MMEACEACE2CPA1CTSB
SCHEMBL7575157 0.89 MME (0.66) MMEACEACE2CPA1CTSB

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