SCHEMBL21236846

SCHEMBL21236846

NC(=O)c1cc(CCO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.67
CHEK2 O96017 1/20 0.48
FPR2 P25090 2/20 0.47

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
SCHEMBL805896 0.81 SCN9A (0.66) SCN9ACHEK2FPR2
SCHEMBL21236966 0.81 SCN9A (0.53) SCN9AFPR2
SCHEMBL21236950 0.81 SCN9A (0.65) SCN9AFPR2
SCHEMBL793657 0.80 SCN9A (1.00) SCN9A
SCHEMBL787611 0.80 SCN9A (1.00) SCN9A
SCHEMBL787612 0.80 SCN9A (1.00) SCN9A
SCHEMBL21236837 0.80 SCN9A (0.72) SCN9A
SCHEMBL805976 0.77 SCN9A (0.56) SCN9A
SCHEMBL21236974 0.76 SCN9A (0.69) SCN9A
SCHEMBL1758373 0.76 SCN9A (0.57) SCN9ACHEK2

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-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed