SCHEMBL5318682

SCHEMBL5318682

CC(C)(C)N1CCC[C@@H](C(=O)c2cccc(Cl)c2F)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 9/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.40
NPC1 O15118 1/20 0.39
HSD11B1 P28845 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL970360 0.81 POLB (0.51) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL970359 0.81 POLB (0.51) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL4755206 0.80 POLB (0.52) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL5592323 0.79 POLB (0.42) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL26599052 0.78 KDM2B (0.46) KDM2BPOLBKMT2AGAATSHR
SCHEMBL30606587 0.78 KDM2B (0.46) KDM2BPOLBKMT2AGAATSHR
SCHEMBL5593253 0.78 KDM2B (0.43) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL4975598 0.77 MEN1 (0.53) KDM2BMEN1KMT2AALDH1A1KDM4E
SCHEMBL3965621 0.77 KDM2B (0.66) KDM2BPOLBMEN1KMT2AALDH1A1
SCHEMBL5593263 0.76 GRM5 (0.39) KDM2BMEN1KMT2AALDH1A1GAA

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-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed