SCHEMBL8223341

SCHEMBL8223341

c1ccc(C[C@@H]2CNC[C@H]2CNCC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.54
REN P00797 7/20 0.45
CTSD P07339 2/20 0.45
CTSE P14091 2/20 0.45
PGC P20142 2/20 0.45
MAN2A1 Q16706 1/20 0.40
MAN1B1 Q9UKM7 1/20 0.40
CXCR4 P61073 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MC4R P32245 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 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
SCHEMBL3919455 1.00 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8228607 0.84 HTR2C (0.53) GBA1RENCTSDCTSEPGC
SCHEMBL8228603 0.80 GBA1 (0.49) GBA1RENCTSDCTSEPGC
SCHEMBL3911891 0.80 GBA1 (0.49) GBA1RENCTSDCTSEPGC
SCHEMBL8222704 0.79 GBA1 (0.51) GBA1RENCTSDCTSEPGC
SCHEMBL3913849 0.79 GBA1 (0.51) GBA1RENCTSDCTSEPGC
SCHEMBL3910632 0.79 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL8223739 0.79 GBA1 (0.54) GBA1RENCTSDCTSEPGC
SCHEMBL3910631 0.78 GBA1 (0.50) GBA1RENCTSDCTSEPGC
SCHEMBL3913840 0.78 USP2 (0.50) GBA1RENCTSDCTSEPGC

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