SCHEMBL7305979

SCHEMBL7305979

CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.52
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL7317706 1.00 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL10477904 0.94 REN (0.49) RENMMP2MMP9MMP8
SCHEMBL10477848 0.93 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL7309704 0.93 REN (0.48) RENMMP2MMP9MMP8
SCHEMBL10477766 0.92 REN (0.54) RENMMP2MMP9MMP8
SCHEMBL10571933 0.89 REN (0.49) RENMMP2MMP9MMP8
SCHEMBL10477882 0.88 REN (0.52) RENMMP2MMP9MMP8
SCHEMBL10868525 0.88 REN (0.58) REN
SCHEMBL10868511 0.88 REN (0.58) REN
SCHEMBL8484484 0.86 MMP9 (0.47) RENMMP2MMP9MMP8

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
US-5135914-A Controlling hypertension, hyperaldosteronism, and congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-08-04 US claimed
US-5135914-A Controlling hypertension, hyperaldosteronism, and congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-08-04 US disclosed