SCHEMBL7567698

SCHEMBL7567698

CC(C)CN(CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.59
ACE P12821 9/20 0.59
CTSB P07858 1/20 0.48
CPA1 P15085 3/20 0.43
ACE2 Q9BYF1 3/20 0.43
GPR34 Q9UPC5 2/20 0.42
LPAR1 Q92633 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 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
SCHEMBL7568360 0.95 MME (0.66) MMEACECTSBCPA1ACE2
SCHEMBL7567838 0.95 MME (0.66) MMEACECTSBCPA1ACE2
SCHEMBL8446430 0.94 MME (0.52) MMEACECTSB
SCHEMBL7567288 0.92 MME (0.53) MMEACECTSB
SCHEMBL8452063 0.89 MME (0.57) MMEACECTSB
SCHEMBL8451194 0.89 MME (0.57) MMEACECTSB
SCHEMBL7567870 0.88 MME (0.61) MMEACECTSBCPA1ACE2
SCHEMBL7565255 0.88 MME (0.69) MMEACECTSBCPA1ACE2
SCHEMBL7574613 0.87 MME (0.55) MMEACECTSBCPA1ACE2
SCHEMBL7570511 0.87 MME (0.55) MMEACECTSB

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