SCHEMBL10282964

SCHEMBL10282964

COCCCOc1cc(N(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.38
GPR119 Q8TDV5 2/20 0.35
REN P00797 1/20 0.35
POLB P06746 1/20 0.35
STS P08842 1/20 0.35
PDE4B Q07343 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL1911399 0.89 EPHX2 (0.40) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL89909 0.88 PDE4B (0.36) USP30MEN1KMT2AGPR119REN
SCHEMBL89632 0.87 PDE4B (0.39) USP30MEN1KMT2ASCN9AGPR119
SCHEMBL1911384 0.87 MEN1 (0.46) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL89118 0.80 REN (0.42) USP30MEN1KMT2AMAPTREN
SCHEMBL89756 0.78 MEN1 (0.37) USP30MEN1KMT2AGPR119REN
SCHEMBL10283299 0.78 REN (0.57) REN
SCHEMBL90536 0.77 PDE4B (0.40) USP30MEN1KMT2AGPR119REN
SCHEMBL1911552 0.76 REN (0.63) MEN1KMT2AALDH1A1MAPTREN
SCHEMBL89134 0.76 GPR119 (0.37) USP30MEN1KMT2AALDH1A1MAPT

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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed