SCHEMBL7566971

SCHEMBL7566971

CC(C)CN(CC(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.66
ACE P12821 13/20 0.66
ACE2 Q9BYF1 5/20 0.48
CPA1 P15085 4/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47

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
SCHEMBL7574113 0.93 MME (0.65) MMEACEACE2CPA1PSEN1
SCHEMBL7570111 0.93 MME (0.62) MMEACEACE2CPA1PSEN1
SCHEMBL7568216 0.93 MME (0.62) MMEACEACE2CPA1PSEN1
SCHEMBL7572812 0.92 MME (0.61) MMEACEACE2CPA1PSEN1
SCHEMBL8451858 0.92 MME (0.55) MMEACEPSEN1PSEN2APH1B
SCHEMBL8017187 0.90 MME (0.78) MMEACEACE2CPA1PSEN1
SCHEMBL8449859 0.90 MME (0.55) MMEACEPSEN1PSEN2APH1B
SCHEMBL7569070 0.88 MME (0.69) MMEACEACE2CPA1
SCHEMBL7569076 0.88 MME (0.69) MMEACEACE2CPA1
SCHEMBL7572841 0.88 MME (0.77) MMEACEACE2CPA1

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