SCHEMBL3713626

SCHEMBL3713626

CN1C(=O)C2CCC1(CO)CC2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
EHMT2 Q96KQ7 2/20 0.35
ESR2 Q92731 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
SCHEMBL3709921 0.66 CYP1A2 (0.36) MAPT
SCHEMBL2124580 0.64
SCHEMBL16757206 0.62 CHRM2 (0.30)
SCHEMBL3711969 0.61
SCHEMBL9853466 0.60 ALDH1A1 (0.30)
SCHEMBL13689107 0.59
SCHEMBL24894375 0.57
SCHEMBL22806588 0.57 CACNA1B (0.46) MEN1MAPTKMT2A
SCHEMBL24894711 0.57
SCHEMBL26402968 0.57 USP14 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed
WO-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed