SCHEMBL7570079

SCHEMBL7570079

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.58
ACE P12821 9/20 0.58
CPA1 P15085 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSB P07858 1/20 0.42
LPAR1 Q92633 1/20 0.41
MMP3 P08254 1/20 0.41
CTSL P07711 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
SCHEMBL8452660 0.95 MME (0.52) MMEACECPA1CTSBMMP3
SCHEMBL7568368 0.95 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568362 0.95 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568928 0.95 MME (0.64) MMEACECPA1ACE2MMP3
SCHEMBL7568408 0.93 MME (0.52) MMEACECPA1ACE2ITGB1
SCHEMBL7568400 0.93 MME (0.52) MMEACECPA1ACE2ITGB1
SCHEMBL8450243 0.91 MME (0.57) MMEACECPA1ACE2CTSB
SCHEMBL8447122 0.91 MME (0.57) MMEACECPA1ACE2CTSB
SCHEMBL7567435 0.91 MME (0.64) MMEACECPA1ACE2ITGB1
SCHEMBL7567660 0.90 MME (0.58) MMEACECPA1ACE2

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