SCHEMBL22607453

SCHEMBL22607453

NCc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.72
FPR2 P25090 4/20 0.67

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
SCHEMBL19072372 0.88 SCN9A (0.71) SCN9AFPR2
SCHEMBL19072392 0.84 SCN9A (0.72) SCN9AFPR2
SCHEMBL14968900 0.84 SCN9A (1.00) SCN9AFPR2
SCHEMBL14968899 0.84 SCN9A (1.00) SCN9AFPR2
SCHEMBL22779549 0.83 SCN9A (0.71) SCN9AFPR2
SCHEMBL16012712 0.82 SCN9A (0.65) SCN9AFPR2
SCHEMBL16012713 0.82 SCN9A (0.82) SCN9AFPR2
SCHEMBL16023870 0.82 SCN9A (0.82) SCN9AFPR2
SCHEMBL14743165 0.81 SCN9A (0.73) SCN9AFPR2
SCHEMBL16013806 0.81 SCN9A (0.73) SCN9AFPR2

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-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed