SCHEMBL18576747

SCHEMBL18576747

CCOC(=O)[C@@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.54
▸ ACE P12821 2/20 0.54
▸ MMEL1 Q495T6 3/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ APP P05067 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.46

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
SCHEMBL12888110 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1908521 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL597498 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1231410 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL21572792 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1232158 1.00 MME (0.54) MMEACEMMEL1CTSSCTSK
SCHEMBL1231592 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL12888104 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL1231595 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK
SCHEMBL1231435 0.91 MME (0.56) MMEACEMMEL1CTSSCTSK

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
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 — — WO disclosed
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