SCHEMBL4779531

SCHEMBL4779531

COc1cc(=O)n(CCN2CCC(NC(=O)OC(C)(C)C)CC2)c2cc(F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 2/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 1/20 0.41
PLK1 P53350 1/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CCR3 P51677 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL3859391 0.96 KCNA3 (0.42) KCNA3CCNT1CDK9MCHR1KCNH2
SCHEMBL3843908 0.88 KCNA3 (0.43) KCNA3DRD3DRD2PLK1HTR7
SCHEMBL4301542 0.88 CNR2 (0.45) MCHR1KCNH2DRD3ALDH1A1CCR3
SCHEMBL3839979 0.86 MCHR1 (0.44) MCHR1KCNH2DRD3DRD2ALDH1A1
SCHEMBL4302247 0.86 KCNA3 (0.49) KCNA3KCNH2DRD2PLK1CNR2
SCHEMBL12002142 0.81 KCNH2 (0.49) KCNA3KCNH2NPY5R
SCHEMBL4303624 0.80 HTR2C (0.43) CDK9DRD2
SCHEMBL13234465 0.79 KCNH2 (0.46) KCNA3KCNH2DRD3DRD2CNR2
SCHEMBL4300063 0.78 CNR2 (0.48) MCHR1KCNH2DRD3DRD2CCR3
SCHEMBL5021645 0.78 KCNH2 (0.55) KCNA3KCNH2

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
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed