SCHEMBL5593512

SCHEMBL5593512

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
NAAA Q02083 1/20 0.32
REN P00797 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 8/20 0.32
PKM P14618 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL5593518 0.80 REN (0.41) MEN1KMT2AALDH1A1BCHENAAA
SCHEMBL3564135 0.78 REN (0.48) KMT2AALDH1A1BCHENAAAREN
SCHEMBL3565755 0.77 REN (0.39) BCHERENTSHR
SCHEMBL3565758 0.77 REN (0.39) BCHERENTSHR
SCHEMBL9819777 0.65 METAP2 (0.56) KMT2AALDH1A1BCHENAAAREN
SCHEMBL9819783 0.65 METAP2 (0.56) KMT2AALDH1A1BCHENAAAREN
SCHEMBL3261774 0.62 NAAA (0.46) MEN1KMT2ANAAAEPHX1EPHX2
SCHEMBL4970440 0.62 CYP2C19 (0.36) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL4972273 0.61 CYP2C19 (0.36) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL7719994 0.61 ACHE (0.38) TSHREPHX1

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