SCHEMBL12427652

SCHEMBL12427652

CC(C)(C)OC(=O)N1CCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
NPC1L1 Q9UHC9 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1I2 O75469 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
CNR2 P34972 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
SCN9A Q15858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ACKR3 P25106 1/20 0.34
P2RY14 Q15391 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL12427668 0.92 PRKCA (0.45) PRKCAMMP12NR1I2SCN9A
SCHEMBL12427641 0.91 PRKCA (0.46) PRKCAMMP12NPC1L1NR1I2SCN9A
SCHEMBL12427653 0.91 PRKCA (0.45) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL10283270 0.90 PRKCA (0.44) PRKCAMMP12CHRM3NR1I2SCN9A
SCHEMBL12427933 0.90 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL803750 0.89 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL12427597 0.88 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL12427917 0.88 PRKCA (0.46) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL12427642 0.88 PRKCA (0.45) PRKCAMMP12NPC1L1NR1I2SCN9A
SCHEMBL804194 0.88 PRKCA (0.48) PRKCAMMP12NR1I2SCN9AKDM4E

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