SCHEMBL12427628

SCHEMBL12427628

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC(=O)N1CCCCCC1)c1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
CCKBR P32239 1/20 0.43
SCN9A Q15858 2/20 0.42
NR1I2 O75469 1/20 0.39
NPC1L1 Q9UHC9 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL804154 1.00 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL804590 1.00 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL10283571 1.00 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL10283570 1.00 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL12427575 0.94 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL12427595 0.93 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL12427594 0.93 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL804122 0.93 PRKCA (0.46) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL12427618 0.93 PRKCA (0.49) PRKCAMMP12CHRM2CHRM4CHRM1
SCHEMBL10283262 0.93 PRKCA (0.48) PRKCAMMP12CHRM2CHRM4CHRM1

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 3 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed