SCHEMBL12427993

SCHEMBL12427993

CN1CCC(N(C)CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.57
MMP12 P39900 1/20 0.57
NR1I2 O75469 4/20 0.40
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CCKBR P32239 5/20 0.34
KCNH2 Q12809 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SCN5A Q14524 1/20 0.33
CYP2D6 P10635 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
SCHEMBL12427928 0.96 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12428102 0.96 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427996 0.95 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427988 0.93 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427994 0.92 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL12427989 0.92 PRKCA (0.54) PRKCAMMP12NR1I2SCN9APOLB
SCHEMBL12427992 0.91 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427961 0.90 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL804300 0.90 PRKCA (0.59) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL12427997 0.89 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACCKBR

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