SCHEMBL12428690

SCHEMBL12428690

CNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC(=O)N1CCC[C@@H](CCOC)C1)c1cc(C)ccc1-3

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
P2RX3 P56373 3/20 0.36
P2RX2 Q9UBL9 2/20 0.36
KCNH2 Q12809 6/20 0.35
NR1I2 O75469 8/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 2/20 0.34

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
SCHEMBL804990 0.93 PRKCA (0.40) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL12428691 0.86 SCN9A (0.39) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL14606871 0.83 SCN9A (0.36) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL14572872 0.83 SCN9A (0.34) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL12429333 0.83 SCN9A (0.42) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL10283283 0.81 PRKCA (0.40) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL12428079 0.81 PRKCA (0.40) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL803712 0.81 PRKCA (0.40) SCN9AKCNH2NR1I2PRKCAMMP12
SCHEMBL792670 0.81 KMT2A (0.34) SCN9ANR1I2
SCHEMBL10283565 0.80 CHRM2 (0.45) SCN9ANR1I2PRKCAMMP12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed