SCHEMBL7570374

SCHEMBL7570374

CC(C)CN(CCC(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.62
ACE P12821 8/20 0.62
MMP8 P22894 4/20 0.51
MMP9 P14780 4/20 0.51
MMP2 P08253 4/20 0.51
CPA1 P15085 3/20 0.49
ACE2 Q9BYF1 3/20 0.49
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ANPEP P15144 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL7569084 0.93 MME (0.60) MMEACEMMP8MMP9MMP2
SCHEMBL7567925 0.90 MME (0.77) MMEACECPA1ACE2
SCHEMBL7567517 0.90 MME (0.77) MMEACECPA1ACE2
SCHEMBL7568906 0.90 MME (0.77) MMEACECPA1ACE2
SCHEMBL7566539 0.88 MME (0.54) MMEACEMMP8MMP9MMP2
SCHEMBL8027274 0.88 MME (0.74) MMEACEMMP8MMP9MMP2
SCHEMBL7573208 0.87 MME (0.64) MMEACECPA1ACE2MMP1
SCHEMBL8033058 0.87 MME (0.83) MMEACEMMP8MMP9MMP2
SCHEMBL8033048 0.87 MME (0.83) MMEACEMMP8MMP9MMP2
SCHEMBL7570165 0.85 MME (0.71) MMEACEMMP8MMP9MMP2

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