SCHEMBL7566348

SCHEMBL7566348

CC(C)CN(CC(CCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.65
MME P08473 13/20 0.65
PTPN1 P18031 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CPA1 P15085 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
PTPN2 P17706 1/20 0.42
CDC25B P30305 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL8446463 0.93 MME (0.55) ACEMMEPTPN1CTSBCTSS
SCHEMBL8446416 0.91 MME (0.55) ACEMMEPTPN1CTSBCTSS
SCHEMBL7570111 0.90 MME (0.62) ACEMMECPA1ACE2PSEN1
SCHEMBL7575443 0.90 MME (0.67) ACEMMEPTPN1CTSBCTSS
SCHEMBL7575431 0.90 MME (0.67) ACEMMEPTPN1CTSBCTSS
SCHEMBL7569434 0.89 MME (0.74) ACEMMECPA1ACE2
SCHEMBL7567514 0.89 MME (0.74) ACEMMECPA1ACE2
SCHEMBL7569444 0.89 MME (0.74) ACEMMECPA1ACE2
SCHEMBL8447214 0.89 MME (0.55) ACEMMECTSBCTSSCTSK
SCHEMBL8027560 0.88 MME (0.80) ACEMMEPTPN1CTSBCTSS

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