SCHEMBL7568441

SCHEMBL7568441

CC(=O)Nc1ccc(OC(=O)CCN(CC(C)C)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.58
ACE P12821 13/20 0.58
FPR2 P25090 2/20 0.45
ACE2 Q9BYF1 7/20 0.43
CPA1 P15085 6/20 0.43
KMT2A Q03164 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL8450146 0.91 MME (0.47) MMEACEKMT2A
SCHEMBL7568446 0.86 MME (0.59) MMEACEACE2CPA1
SCHEMBL7573798 0.84 MME (0.71) MMEACEACE2CPA1
SCHEMBL7566049 0.83 MME (0.69) MMEACEACE2CPA1
SCHEMBL7567284 0.82 MME (0.63) MMEACEFPR2ACE2CPA1
SCHEMBL7567439 0.82 MME (0.55) MMEACEACE2CPA1
SCHEMBL7567925 0.81 MME (0.77) MMEACEACE2CPA1
SCHEMBL7568906 0.81 MME (0.77) MMEACEACE2CPA1
SCHEMBL7567517 0.81 MME (0.77) MMEACEACE2CPA1
SCHEMBL7569387 0.81 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 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