SCHEMBL8228607

SCHEMBL8228607

c1ccc(CNC[C@@H]2CNC[C@H]2Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
GBA1 P04062 1/20 0.53
MAN1B1 Q9UKM7 1/20 0.48
REN P00797 7/20 0.47
CTSD P07339 2/20 0.47
CTSE P14091 2/20 0.47
PGC P20142 2/20 0.47
MC4R P32245 1/20 0.45
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CXCR4 P61073 1/20 0.42

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
SCHEMBL2932962 0.91 REN (0.56) HTR2CGBA1MAN1B1RENCTSD
SCHEMBL3910632 0.85 GBA1 (0.54) HTR2CGBA1RENCTSDCTSE
SCHEMBL8223739 0.85 GBA1 (0.54) HTR2CGBA1RENCTSDCTSE
SCHEMBL3919455 0.84 GBA1 (0.54) GBA1MAN1B1RENCTSDCTSE
SCHEMBL8223341 0.84 GBA1 (0.54) GBA1MAN1B1RENCTSDCTSE
SCHEMBL3910631 0.81 GBA1 (0.50) GBA1RENCTSDCTSEPGC
SCHEMBL14498489 0.81 HTR2C (0.67) HTR2CGBA1MAN1B1MC4RHTR2A
SCHEMBL2937708 0.80 GBA1 (0.53) GBA1RENCTSDCTSEPGC
SCHEMBL3911891 0.79 GBA1 (0.49) HTR2CGBA1MAN1B1RENCTSD
SCHEMBL8228603 0.79 GBA1 (0.49) HTR2CGBA1MAN1B1RENCTSD

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