SCHEMBL18574633

SCHEMBL18574633

CCOC(=O)[C@H](C)C[C@@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.49
▸ SRR Q9GZT4 2/20 0.47
▸ PSAT1 Q9Y617 2/20 0.47
▸ MME P08473 10/20 0.46
▸ ACE P12821 8/20 0.46
▸ REN P00797 1/20 0.44
▸ MMP8 P22894 1/20 0.44

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
SCHEMBL21572784 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL1908566 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL18059572 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL18059571 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL609953 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL597164 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL24404055 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
SCHEMBL598890 1.00 GPR88 (0.49) GPR88SRRPSAT1MMEACE
Hydrochloric Acid SCHEMBL597844 0.99 GPR88 (0.48) GPR88SRRPSAT1MMEACE
SCHEMBL7426879 0.99 GPR88 (0.48) GPR88SRRPSAT1MMEACE

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-2017033212-A1 PREPARATION OF SACUBITRIL AND SALT THEREOF AND NOVEL COMPOUNDS USED IN THE PROCESS ACTAVIS GROUP PTC EHF. (IS) 2017-03-02 — — WO disclosed
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