SCHEMBL20123623

SCHEMBL20123623

Fc1cccc2c1Cc1cccc(F)c1SC2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
DRD2 P14416 2/20 0.35
DRD3 P35462 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
SCHEMBL20123640 0.86 NOTUM (0.36) NOTUM
SCHEMBL20123626 0.86 NOTUM (0.36) NOTUMDRD2DRD3
SCHEMBL20015251 0.85 NOTUM (0.36) NOTUMDRD2DRD3
SCHEMBL20014966 0.83 NOTUM (0.40) NOTUMDRD2DRD3
SCHEMBL19939720 0.80 ALDH1A1 (0.34) NOTUMDRD2DRD3
SCHEMBL1912510 0.77
SCHEMBL20123649 0.76 ACHE (0.35) NOTUM
SCHEMBL21183818 0.76 NOTUM (0.33) NOTUM
SCHEMBL20014575 0.76 ADRA2A (0.33) NOTUM
SCHEMBL20014568 0.76 NOTUM (0.39) NOTUM

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed