SCHEMBL2276308

SCHEMBL2276308

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](CCCN(C)CCN(C)C(=O)OC(C)(C)C)CO2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
MMP12 P39900 1/20 0.50
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
NR1I2 O75469 1/20 0.30
ACKR3 P25106 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
SCHEMBL4206520 0.91 PRKCA (0.61) PRKCAMMP12HTR2CSLC6A4NR1I2
SCHEMBL2277223 0.89 PRKCA (0.47) PRKCAMMP12NR1I2
SCHEMBL2276303 0.85 PRKCA (0.53) PRKCAMMP12HTR2CSLC6A4NR1I2
SCHEMBL2273255 0.84 PRKCA (0.54) PRKCAMMP12NR1I2
SCHEMBL2271497 0.82 PRKCA (0.60) PRKCAMMP12NR1I2
SCHEMBL2277015 0.81 PRKCA (0.53) PRKCAMMP12NR1I2
SCHEMBL2275104 0.81 PRKCA (0.53) PRKCAMMP12NR1I2
SCHEMBL2275227 0.81 PRKCA (0.47) PRKCAMMP12NR1I2
SCHEMBL2276697 0.81 PRKCA (0.52) PRKCAMMP12NR1I2
SCHEMBL2278806 0.80 PRKCA (0.56) PRKCAMMP12NR1I2

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