SCHEMBL8029449

SCHEMBL8029449

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

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 15/20 0.76
ACE P12821 11/20 0.76
CPA1 P15085 3/20 0.44
ACE2 Q9BYF1 3/20 0.44
HPGDS O60760 1/20 0.44
FCER2 P06734 2/20 0.43
MMP1 P03956 1/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL8029444 1.00 MME (0.76) MMEACECPA1ACE2HPGDS
SCHEMBL8017716 0.94 MME (0.85) MMEACECPA1ACE2ACACB
SCHEMBL8016944 0.94 MME (0.85) MMEACECPA1ACE2
SCHEMBL8016940 0.94 MME (0.85) MMEACECPA1ACE2
SCHEMBL8447819 0.94 MME (0.85) MMEACECPA1ACE2ACACB
SCHEMBL8017720 0.94 MME (0.85) MMEACECPA1ACE2ACACB
SCHEMBL8033016 0.94 MME (0.66) MMEACEFCER2MMP1
SCHEMBL8033010 0.94 MME (0.66) MMEACEFCER2MMP1
SCHEMBL8028005 0.91 MME (0.64) MMEACECPA1ACE2HPGDS
SCHEMBL8029476 0.88 MME (0.75) MMEACEFCER2MMP1

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