SCHEMBL5228930

SCHEMBL5228930

O=C(O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP46A1 Q9Y6A2 2/20 0.33
GRM4 Q14833 1/20 0.33
GPR6 P46095 1/20 0.33
SCD O00767 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GHSR Q92847 1/20 0.33
CPB2 Q96IY4 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
SCHEMBL5228646 0.87 ACHE (0.38) KDM4EALDH1A1LMNA
SCHEMBL5226491 0.87 ACHE (0.38) KDM4EALDH1A1LMNA
SCHEMBL6638381 0.83 GHSR (0.39) KDM4EALDH1A1MAPTMGLLGHSR
SCHEMBL7592436 0.82 AKT1 (0.42)
SCHEMBL7015726 0.82 AKT1 (0.42)
SCHEMBL6475038 0.80 L3MBTL1 (0.37) ALDH1A1TSHRGRM4LMNA
SCHEMBL5225204 0.80 L3MBTL1 (0.37) ALDH1A1TSHRGRM4LMNA
SCHEMBL5227898 0.78 GHSR (0.45) SCDGHSR
SCHEMBL5224946 0.78 GHSR (0.45) SCDGHSR
SCHEMBL3840114 0.78 GHSR (0.55) GHSR

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-1001970-B1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER (US) 2007-03-07 EP disclosed