SCHEMBL19072152

SCHEMBL19072152

O=C(O)c1cc(N2CCCC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.63
FPR2 P25090 17/20 0.63
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL19072096 0.90 SCN9A (0.77) SCN9AFPR2
SCHEMBL19956171 0.87 SCN9A (0.77) SCN9AFPR2
SCHEMBL14743815 0.82 FPR2 (0.74) SCN9AFPR2
SCHEMBL14743818 0.82 FPR2 (0.74) SCN9AFPR2
SCHEMBL19072315 0.82 SCN9A (0.66) SCN9AFPR2
SCHEMBL6394883 0.80 HPGD (0.63) CYP1A2CYP2C9CYP2C19KMT2AL3MBTL1
SCHEMBL2927049 0.80 HPGD (0.67) CYP1A2CYP2C9CYP2C19KMT2AL3MBTL1
SCHEMBL14746155 0.78 SCN9A (0.77) SCN9AFPR2
SCHEMBL14743534 0.78 SCN9A (1.00) SCN9AFPR2
SCHEMBL20117022 0.78 FPR2 (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed
EP-2753606-B1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2017-07-05 EP disclosed