SCHEMBL12427737

SCHEMBL12427737

CCN1CCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(F)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 5/20 0.42
CCR3 P51677 6/20 0.39
CNR1 P21554 2/20 0.38
SCN9A Q15858 3/20 0.37
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 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
SCHEMBL10283573 0.93 PRKCA (0.43) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12427687 0.93 PRKCA (0.43) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12427674 0.91 PRKCA (0.43) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12427681 0.91 PRKCA (0.43) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12427739 0.90 PRKCA (0.42) PRKCAMMP12NR1I2CCR3CNR1
SCHEMBL804194 0.89 PRKCA (0.48) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12428400 0.89 PRKCA (0.42) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12427964 0.88 PRKCA (0.43) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL12428000 0.88 PRKCA (0.47) PRKCAMMP12NR1I2CCR3SCN9A
SCHEMBL804229 0.87 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKCNH2

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