SCHEMBL7574113

SCHEMBL7574113

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.65
ACE P12821 12/20 0.65
ACE2 Q9BYF1 5/20 0.47
CPA1 P15085 4/20 0.46
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
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CACNA1B Q00975 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
SCHEMBL7570111 0.94 MME (0.62) MMEACEACE2CPA1PSEN1
SCHEMBL7568216 0.94 MME (0.62) MMEACEACE2CPA1PSEN1
SCHEMBL7566971 0.93 MME (0.66) MMEACEACE2CPA1PSEN1
SCHEMBL7572812 0.93 MME (0.61) MMEACEACE2CPA1PSEN1
SCHEMBL8452236 0.91 MME (0.53) MMEACEPSEN1PSEN2APH1B
SCHEMBL8450793 0.90 MME (0.54) MMEACEPSEN1PSEN2APH1B
SCHEMBL8017187 0.89 MME (0.78) MMEACEACE2CPA1PSEN1
SCHEMBL7569066 0.88 MME (0.67) MMEACEACE2CPA1
SCHEMBL7569072 0.88 MME (0.67) MMEACEACE2CPA1
SCHEMBL8449852 0.88 MME (0.54) 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