SCHEMBL7674564

SCHEMBL7674564

CCOC(=O)CC(CN(CCC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)Sc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 0.52
ACE P12821 14/20 0.52
ACE2 Q9BYF1 9/20 0.44
CPA1 P15085 8/20 0.44
LPAR1 Q92633 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL7565484 0.81 MME (0.67) MMEACEACE2CPA1LPAR1
SCHEMBL6897391 0.81 MME (0.47) MMEACEACE2CPA1ITGB3
SCHEMBL6897389 0.81 MME (0.47) MMEACEACE2CPA1ITGB3
SCHEMBL6898434 0.76 MME (0.67) MMEACEACE2CPA1
SCHEMBL8027331 0.75 MME (0.82) MMEACEACE2CPA1
SCHEMBL8027335 0.75 MME (0.82) MMEACEACE2CPA1
SCHEMBL7573798 0.74 MME (0.71) MMEACEACE2CPA1
SCHEMBL7569072 0.74 MME (0.67) MMEACEACE2CPA1
SCHEMBL7569066 0.74 MME (0.67) MMEACEACE2CPA1
SCHEMBL7569387 0.74 MME (0.67) MMEACEACE2CPA1ITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed