SCHEMBL3345331

SCHEMBL3345331

C[C@@H]1CN(C(C)(C)C)CCN1CCO

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGL P35573 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGAM O43451 1/20 0.31
GBA1 P04062 1/20 0.31
LCT P09848 1/20 0.31
SI P14410 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL21901114 0.81 AGL (0.35) AGLGAATDP1MGAMGBA1
SCHEMBL13849313 0.79 GBA1 (0.35) GBA1
SCHEMBL22098703 0.79 GBA1 (0.35) GBA1
SCHEMBL10131847 0.79 SIGMAR1 (0.36)
SCHEMBL12942345 0.79 SIGMAR1 (0.36)
SCHEMBL12942344 0.79 SIGMAR1 (0.36)
SCHEMBL27027460 0.77 DRD3 (0.31)
SCHEMBL19958962 0.77 DRD3 (0.31)
SCHEMBL15416023 0.75 MAPT (0.33)
SCHEMBL3921405 0.75

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed