SCHEMBL7566362

SCHEMBL7566362

COc1ccccc1OC(=O)C(CCc1ccccc1)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.59
ACE P12821 8/20 0.59
LPAR1 Q92633 2/20 0.48
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
MMP3 P08254 2/20 0.45
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
ITGB1 P05556 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
FPR2 P25090 1/20 0.41
KMT2A Q03164 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
SCHEMBL7566370 1.00 MME (0.59) MMEACELPAR1CPA1ACE2
SCHEMBL7567446 0.94 MME (0.62) MMEACELPAR1CPA1ACE2
SCHEMBL7567451 0.94 MME (0.62) MMEACELPAR1CPA1ACE2
SCHEMBL8452247 0.93 MME (0.54) MMEACELPAR1CPA1ACE2
SCHEMBL7565186 0.93 MME (0.63) MMEACELPAR1CPA1ACE2
SCHEMBL7565183 0.93 MME (0.63) MMEACELPAR1CPA1ACE2
SCHEMBL8449324 0.93 MME (0.49) MMEACELPAR1MMP3ITGA4
SCHEMBL7566401 0.91 MME (0.62) MMEACELPAR1CPA1ACE2
SCHEMBL7566406 0.91 MME (0.62) MMEACELPAR1CPA1ACE2
SCHEMBL8452108 0.91 MME (0.49) MMEACELPAR1MMP3ITGA4

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 3 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
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed