SCHEMBL2278087

SCHEMBL2278087

Cc1ccc(CN2CCCCC2)c2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](N(C)CCNC(=O)OC(C)(C)C)CO2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.51
MMP12 P39900 1/20 0.51
SCN9A Q15858 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CNR2 P34972 1/20 0.31
NR1I2 O75469 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM4 P08173 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
SCHEMBL2280880 0.91 PRKCA (0.56) PRKCAMMP12SCN9APDK1PDK2
SCHEMBL2272958 0.91 PRKCA (0.55) PRKCAMMP12SCN9APDK1PDK2
SCHEMBL2278545 0.90 PRKCA (0.48) PRKCAMMP12CNR2
SCHEMBL2276847 0.89 PRKCA (0.53) PRKCAMMP12SCN9APDK1PDK2
SCHEMBL394843 0.87 PRKCA (0.61) PRKCAMMP12SCN9APDK1PDK2
SCHEMBL2280938 0.86 PRKCA (0.53) PRKCAMMP12PDK1PDK2PDK3
SCHEMBL2278084 0.86 PRKCA (0.49) PRKCAMMP12SCN9ACNR2NR1I2
SCHEMBL3684086 0.83 PRKCA (0.60) PRKCAMMP12SCN9APDK1PDK2
SCHEMBL2278012 0.83 PRKCA (0.54) PRKCAMMP12CNR2NR1I2
SCHEMBL393735 0.82 PRKCA (0.75) PRKCAMMP12SCN9APDK1PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed