SCHEMBL8029482

SCHEMBL8029482

CC(C)CN(CC(O)C(N)=O)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.58
ACE P12821 12/20 0.58
HPGDS O60760 1/20 0.42
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL8030600 0.94 MME (0.67) MMEACEPPARGPPARA
SCHEMBL8448363 0.94 MME (0.67) MMEACEHPGDSCAPN1CTSB
SCHEMBL8028717 0.94 MME (0.67) MMEACEHPGDSCAPN1CTSB
SCHEMBL27441357 0.90 MME (0.55) MMEACEHPGDSCAPN1CTSB
SCHEMBL27441356 0.90 MME (0.55) MMEACEHPGDSCAPN1CTSB
SCHEMBL8027420 0.88 MME (0.77) MMEACEPPARGPPARA
SCHEMBL8029444 0.87 MME (0.76) MMEACEHPGDS
SCHEMBL8029449 0.87 MME (0.76) MMEACEHPGDS
SCHEMBL8016980 0.86 MME (0.57) MMEACE
SCHEMBL8028005 0.85 MME (0.64) MMEACEHPGDS

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