SCHEMBL7570111

SCHEMBL7570111

CC(C)CN(CC(CCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.62
ACE P12821 13/20 0.62
ACE2 Q9BYF1 5/20 0.48
CPA1 P15085 4/20 0.48
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MMP3 P08254 2/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 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
SCHEMBL7568216 0.96 MME (0.62) MMEACEACE2CPA1PSEN1
SCHEMBL7572812 0.95 MME (0.61) MMEACEACE2CPA1PSEN1
SCHEMBL7574113 0.94 MME (0.65) MMEACEACE2CPA1PSEN1
SCHEMBL7566971 0.93 MME (0.66) MMEACEACE2CPA1PSEN1
SCHEMBL7567643 0.92 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL8453223 0.92 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL8451289 0.92 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL7568304 0.91 MME (0.66) MMEACEACE2CPA1MMP3
SCHEMBL7568299 0.91 MME (0.66) MMEACEACE2CPA1MMP3
SCHEMBL8452341 0.90 MME (0.52) MMEACEPSEN1PSEN2APH1B

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