SCHEMBL13985226

SCHEMBL13985226

Nc1ccc(-n2c(=O)cc(CO)nc2[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.33
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30
AVPR1A P37288 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL4755639 0.89 AVPR1A (0.38) DRD2DRD3KCNH2AVPR1A
SCHEMBL4755635 0.89 AVPR1A (0.38) DRD2DRD3KCNH2AVPR1A
SCHEMBL13985227 0.86 NOTUM (0.39) DRD2DRD3KCNH2
SCHEMBL13985415 0.82 AVPR1A (0.36) DRD2DRD3KCNH2AVPR1ATRPV3
SCHEMBL4755622 0.81 AVPR1A (0.37) DRD2DRD3KCNH2AVPR1A
SCHEMBL4755627 0.81 AVPR1A (0.37) DRD2DRD3KCNH2AVPR1A
SCHEMBL13985299 0.81 MCHR1 (0.35)
SCHEMBL13985222 0.77 AVPR1A (0.39) TBK1DRD2DRD3KCNH2AVPR1A
SCHEMBL13985528 0.77 MCHR1 (0.38) KCNH2AVPR1A
Hydrochloric Acid SCHEMBL4755710 0.76 AVPR1A (0.38) TBK1DRD2DRD3KCNH2AVPR1A

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed