SCHEMBL7573635

SCHEMBL7573635

CC(C)CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.55
ACE P12821 10/20 0.55
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
PTGES O14684 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
LPAR1 Q92633 1/20 0.42
GPR34 Q9UPC5 3/20 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
SCHEMBL7573628 1.00 MME (0.55) MMEACECPA1ACE2PTGES
SCHEMBL8453091 0.95 MME (0.48) MMEACECPA1ACE2PTGES
SCHEMBL7568362 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7568368 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7568928 0.94 MME (0.64) MMEACECPA1ACE2GPR34
SCHEMBL7567660 0.91 MME (0.58) MMEACECPA1ACE2GPR34
SCHEMBL7567652 0.91 MME (0.58) MMEACECPA1ACE2GPR34
SCHEMBL7573103 0.90 MME (0.61) MMEACECPA1ACE2PTGES
SCHEMBL7573107 0.90 MME (0.61) MMEACECPA1ACE2PTGES
SCHEMBL7570079 0.89 MME (0.58) MMEACECPA1ACE2LPAR1

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