SCHEMBL17499995

SCHEMBL17499995

CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)c3nocc3c3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
USP14 P54578 1/20 0.45
CCR5 P51681 1/20 0.42
DRD2 P14416 3/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
DRD3 P35462 1/20 0.40
NSD2 O96028 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17500011 0.84 KCNA3 (0.47) KCNA3USP14CCR5DRD2OPRM1
SCHEMBL17499997 0.78 TSHR (0.39) DRD2DRD3
SCHEMBL11999879 0.76 HTR3E (0.51) KCNA3USP14CCR5DRD2DRD3
SCHEMBL19093838 0.74 KCNA3 (0.49) KCNA3USP14CCR5DRD2OPRM1
SCHEMBL5021638 0.72 KCNA3 (0.49) KCNA3USP14CCR5DRD2OPRM1
SCHEMBL13652282 0.71 KCNA3 (0.60) KCNA3USP14CCR5DRD2DRD3
SCHEMBL6368827 0.71 KCNA3 (0.57) KCNA3USP14CCR5DRD2OPRM1
SCHEMBL5567706 0.71 KCNA3 (0.54) KCNA3CCR5DRD2DRD3
SCHEMBL3108831 0.70 KCNA3 (0.56) KCNA3USP14CCR5DRD2DRD3
SCHEMBL22928915 0.70 KCNA3 (0.66) KCNA3CCR5DRD2DRD3CKS1B

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-2016024096-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2016-02-18 WO disclosed