SCHEMBL12427679

SCHEMBL12427679

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC(=O)N1CCOCC1)c1cc(F)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
NR1I2 O75469 5/20 0.41
SCN9A Q15858 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH1 P35367 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
GRIN2B Q13224 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CTSS P25774 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL12427684 0.94 CHRM2 (0.44) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL10283491 0.91 PRKCA (0.44) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL804193 0.91 PRKCA (0.42) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL10283262 0.90 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL12427739 0.89 PRKCA (0.42) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL12427674 0.89 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL12428861 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL10283493 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL803809 0.87 PRKCA (0.46) PRKCAMMP12NR1I2SCN9ACHRM2
SCHEMBL12428400 0.87 PRKCA (0.42) PRKCAMMP12NR1I2SCN9A

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