SCHEMBL4590167

SCHEMBL4590167

COc1ccc2ccc(=O)n3c2c1OCC3CN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
DRD2 P14416 4/20 0.39
KDM4D Q6B0I6 3/20 0.38
CFTR P13569 1/20 0.38
SUV39H2 Q9H5I1 4/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
PDE10A Q9Y233 1/20 0.36
DRD3 P35462 1/20 0.36
CCR5 P51681 1/20 0.36
MCHR1 Q99705 2/20 0.35

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
SCHEMBL10128141 0.76 KCNA3 (0.46) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL12746406 0.76 KCNA3 (0.46) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL4590519 0.75 CNR1 (0.39)
SCHEMBL3610965 0.75 KCNA3 (0.38) KCNA3DRD2KDM4DCCR5
SCHEMBL3610961 0.75 KCNA3 (0.38) KCNA3DRD2KDM4DCCR5
SCHEMBL3611264 0.75 KCNA3 (0.38) KCNA3DRD2KDM4DSUV39H2
SCHEMBL3602537 0.75 SIGMAR1 (0.35) MCHR1
SCHEMBL3615008 0.74 KCNA3 (0.36) KCNA3DRD2KDM4DCKS1BSKP1
SCHEMBL3609957 0.74 KCNA3 (0.36) KCNA3DRD2KDM4DCKS1BSKP1
SCHEMBL3618787 0.74 KCNA3 (0.36) KCNA3DRD2KDM4DCKS1BSKP1

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-2008120003-A1 SUBSTITUTED PIPERIDINES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-10-09 WO disclosed