SCHEMBL8225319

SCHEMBL8225319

CCOC(=O)[C@]1(F)CNC[C@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CTSD P07339 1/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.39
SLC6A4 P31645 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
SLC22A1 O15245 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4156484 0.76 CYP3A4 (0.47) OPRM1L3MBTL1SMN1; SMN2GAALMNA
SCHEMBL4156493 0.76 CYP3A4 (0.47) OPRM1L3MBTL1SMN1; SMN2GAALMNA
SCHEMBL21807187 0.72 SYK (0.44) L3MBTL1SMN1; SMN2HTR2CMEN1KMT2A
SCHEMBL4155702 0.72 RORC (0.42) L3MBTL1LMNAOPRD1OPRK1
SCHEMBL8913969 0.71 OPRM1 (0.48) OPRM1L3MBTL1SMN1; SMN2GAALMNA
SCHEMBL8222794 0.71 GBA1 (0.40) GAASLC6A4SLC6A2SLC6A3
SCHEMBL3646187 0.70 KDM4E (0.44) OPRM1L3MBTL1GAALMNASLC6A4
SCHEMBL11662599 0.70 L3MBTL1 (0.52) OPRM1L3MBTL1SMN1; SMN2LMNASLC6A4
SCHEMBL8225218 0.70 GBA1 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL28339181 0.68 CYP2C19 (0.44) OPRM1L3MBTL1SMN1; SMN2GAALMNA

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