SCHEMBL8222704

SCHEMBL8222704

c1ccc(C[C@@H]2CNC[C@H]2CNC2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.51
REN P00797 7/20 0.47
CTSD P07339 2/20 0.46
CTSE P14091 2/20 0.46
PGC P20142 2/20 0.46
GRIN2B Q13224 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MC4R P32245 1/20 0.37

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
SCHEMBL3913849 1.00 GBA1 (0.51) GBA1RENCTSDCTSEPGC
SCHEMBL8225983 0.94 GBA1 (0.49) GBA1RENCTSDCTSEPGC
SCHEMBL3910981 0.94 GBA1 (0.49) GBA1RENCTSDCTSEPGC
SCHEMBL3911234 0.83 CARM1 (0.40) GBA1RENCTSDKMT2A
SCHEMBL3910632 0.80 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8223739 0.80 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL3919455 0.79 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8223341 0.79 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8223793 0.79 KDM1A (0.35) GBA1REN
SCHEMBL3914249 0.79 KDM1A (0.35) GBA1REN

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-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 WO disclosed