SCHEMBL12429375

SCHEMBL12429375

Cc1ccc2c(c1)N(CCN1CCC[C@@H](CCN3CCCC3=O)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 2/20 0.36
KDM4C Q9H3R0 2/20 0.32
NR1I2 O75469 4/20 0.32
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
GLP1R P43220 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.31
PKM P14618 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL12429151 0.92 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL803754 0.92 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL12428525 0.92 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2
SCHEMBL10283575 0.91 PRKCA (0.42) PRKCAMMP12SCN9AKDM4CNR1I2
SCHEMBL12429322 0.90 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283578 0.90 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL12428570 0.90 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL12428553 0.90 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL10283736 0.90 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2DPP4
SCHEMBL10283613 0.90 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KDM4E

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