SCHEMBL5593518

SCHEMBL5593518

CCCCNC(=O)C[C@H](O)[C@H](C)N(C(=O)O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
NAAA Q02083 1/20 0.38
EPHX1 P07099 9/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 3/20 0.36
METAP2 P50579 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL5593512 0.80 MEN1 (0.33) RENNAAAEPHX1MEN1ALDH1A1
SCHEMBL4970440 0.77 CYP2C19 (0.36) EPHX1MEN1ALDH1A1KMT2ATSHR
SCHEMBL5318676 0.73 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL5316108 0.73 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ATSHR
SCHEMBL5315904 0.73 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ATSHR
SCHEMBL3564204 0.71 REN (0.68) RENNAAAEPHX1ALDH1A1KMT2A
SCHEMBL3564248 0.71 REN (0.49) RENMETAP2
SCHEMBL3564246 0.71 REN (0.49) RENMETAP2
SCHEMBL5593651 0.69 REN (0.50) RENNAAAEPHX1ALDH1A1KMT2A
SCHEMBL3261774 0.69 NAAA (0.46) NAAAEPHX1MEN1KMT2AEPHX2

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