SCHEMBL6255992

SCHEMBL6255992

COCC[C@H](C(=O)O)C(C(=O)N[C@@H](Cc1ncc(-c2ccccc2)o1)C(=O)O)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.61
NPPA P01160 6/20 0.61
ACE P12821 4/20 0.41
CPA1 P15085 4/20 0.41
ACE2 Q9BYF1 4/20 0.41
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
PSMB8 P28062 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NOTUM Q6P988 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL6256519 0.93 MME (0.64) MMENPPAACECPA1ACE2
SCHEMBL6255996 0.77 MME (0.73) MMENPPAITGB1ITGA4
SCHEMBL6806381 0.73 MME (0.67) MMENPPAITGB1ITGA4
SCHEMBL6807770 0.73 MME (0.60) MMENPPA
SCHEMBL6807772 0.73 MME (0.60) MMENPPA
SCHEMBL6808651 0.72 MME (0.65) MMENPPAITGB1ITGA4
SCHEMBL6259873 0.71 MME (0.51) MMENPPAACECPA1ACE2
SCHEMBL6256523 0.71 MME (0.74) MMENPPAITGB1ITGA4
SCHEMBL8334821 0.71 MME (0.64) MMENPPAITGB1ITGA4
SCHEMBL6254584 0.70 NPPA (0.54) MMENPPAACERXRARXRB

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-1578735-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS Pfizer Limited (GB) 2005-09-28 EP claimed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO claimed