SCHEMBL8033016

SCHEMBL8033016

CC(C)CN(C[C@H](O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.66
ACE P12821 7/20 0.66
FCER2 P06734 4/20 0.48
MMP1 P03956 2/20 0.48
CTSB P07858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
LNPEP Q9UIQ6 2/20 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
SCHEMBL8033010 1.00 MME (0.66) MMEACEFCER2MMP1CTSB
SCHEMBL8029444 0.94 MME (0.76) MMEACEFCER2MMP1
SCHEMBL8029449 0.94 MME (0.76) MMEACEFCER2MMP1
SCHEMBL8016997 0.94 MME (0.75) MMEACE
SCHEMBL8016991 0.94 MME (0.75) MMEACE
SCHEMBL8029480 0.94 MME (0.75) MMEACEFCER2MMP1CTSB
SCHEMBL8029476 0.94 MME (0.75) MMEACEFCER2MMP1CTSB
SCHEMBL8455368 0.94 MME (0.75) MMEACEFCER2MMP1CTSB
SCHEMBL27504887 0.89 ACE (0.59) MMEACECTSB
SCHEMBL8447819 0.89 MME (0.85) MMEACE

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