SCHEMBL8229765

SCHEMBL8229765

CCOC(=O)COC(c1cccc(Cl)c1F)[C@@H]1CCCN(BOC)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL5510885 0.85 REN (0.49) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL4969868 0.84 REN (0.43) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL4972473 0.84 REN (0.43) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL5616713 0.83 KDM4E (0.44) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL1859608 0.81 REN (0.48) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL1859602 0.81 REN (0.48) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL1859604 0.81 REN (0.48) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL3606261 0.81 REN (0.48) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL5593291 0.78 SLC6A2 (0.40) RENKDM4EALDH1A1TDP1TSHR
SCHEMBL4974903 0.76 REN (0.46) RENKDM4EALDH1A1TDP1TSHR

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