SCHEMBL8229256

SCHEMBL8229256

CO[C@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.47
CYP3A4 P08684 3/20 0.47
USP30 Q70CQ3 2/20 0.46
STS P08842 1/20 0.46
ANO1 Q5XXA6 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
SCHEMBL2326044 0.88 REN (0.57) RENCYP3A4USP30STSANO1
SCHEMBL2326055 0.88 REN (0.57) RENCYP3A4USP30STSANO1
SCHEMBL2326048 0.88 REN (0.57) RENCYP3A4USP30STSANO1
SCHEMBL3607435 0.88 REN (0.49) RENCYP3A4USP30STSANO1
SCHEMBL3607433 0.88 REN (0.49) RENCYP3A4USP30STSANO1
SCHEMBL3607432 0.88 REN (0.49) RENCYP3A4USP30STSANO1
SCHEMBL3605216 0.88 USP30 (0.48) RENCYP3A4USP30STSANO1
SCHEMBL968957 0.88 USP30 (0.48) RENCYP3A4USP30STSANO1
SCHEMBL968955 0.88 USP30 (0.48) RENCYP3A4USP30STSANO1
SCHEMBL970137 0.88 USP30 (0.48) RENCYP3A4USP30STSANO1

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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed