SCHEMBL12427684

SCHEMBL12427684

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC(=O)N1CCCCC1)c1cc(F)ccc1-3

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM3 P20309 4/20 0.44
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
SCN9A Q15858 2/20 0.40
NR1I2 O75469 5/20 0.39
CHRM4 P08173 4/20 0.36
CCKBR P32239 1/20 0.35
CHRM1 P11229 3/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.34
CCR3 P51677 1/20 0.33
LMNA P02545 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
SCHEMBL12427679 0.94 PRKCA (0.42) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL12427739 0.92 PRKCA (0.42) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL10283563 0.90 PRKCA (0.43) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL10283565 0.90 CHRM2 (0.45) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL804590 0.89 PRKCA (0.48) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL10283571 0.89 PRKCA (0.48) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL10283570 0.89 PRKCA (0.48) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL12427628 0.89 PRKCA (0.48) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL804154 0.89 PRKCA (0.48) CHRM2CHRM3PRKCAMMP12SCN9A
SCHEMBL12427609 0.88 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2

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