SCHEMBL7569082

SCHEMBL7569082

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.57
ACE P12821 11/20 0.57
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
NTSR1 P30989 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL7569081 1.00 MME (0.57) MMEACEMMP2MMP3CPA1
SCHEMBL7567435 0.92 MME (0.64) MMEACECPA1ACE2ITGB1
SCHEMBL7568408 0.92 MME (0.52) MMEACEMMP2MMP3CPA1
SCHEMBL7568400 0.92 MME (0.52) MMEACEMMP2MMP3CPA1
SCHEMBL7568387 0.89 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572401 0.89 MME (0.71) MMEACECPA1ACE2
SCHEMBL7572405 0.89 MME (0.71) MMEACECPA1ACE2
SCHEMBL7567269 0.89 MME (0.71) MMEACECPA1ACE2
SCHEMBL7567827 0.88 MME (0.73) MMEACEMMP2CPA1ACE2
SCHEMBL7567832 0.88 MME (0.73) MMEACEMMP2CPA1ACE2

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-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed