SCHEMBL5616624

SCHEMBL5616624

CCOC(=O)COC(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.49
CHRM3 P20309 5/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MDM2 Q00987 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 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
SCHEMBL3556972 0.88 REN (0.52) RENALDH1A1KDM4EHPGD
SCHEMBL3556975 0.88 REN (0.52) RENALDH1A1KDM4EHPGD
SCHEMBL4974590 0.86 REN (0.41) RENALDH1A1KDM4ETSHRTDP1
SCHEMBL5593271 0.86 REN (0.52) RENCHRM3KDM4EMDM2
SCHEMBL3881752 0.85 REN (0.52) RENCHRM3KDM4EMDM2
SCHEMBL3880020 0.84 REN (0.60) RENCHRM3TSHRMDM2
SCHEMBL4969868 0.81 REN (0.43) RENALDH1A1KDM4ETSHRTDP1
SCHEMBL4972473 0.81 REN (0.43) RENALDH1A1KDM4ETSHRTDP1
SCHEMBL5593533 0.80 REN (0.42) RENCHRM3L3MBTL1MDM2HPGD
SCHEMBL4972630 0.80 REN (0.45) RENALDH1A1KDM4EKMT2AMEN1

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