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SCHEMBL2274176

SCHEMBL2274176

COC(CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](N(C)CCN(C(=O)O)C(C)(C)C)COc1ccccc1-3)OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.60
▸ MMP12 P39900 1/20 0.60
▸ NR1I2 O75469 9/20 0.42
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNH2 Q12809 7/20 0.39
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 3/20 0.35

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
SCHEMBL2278311 0.93 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4210080 0.90 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276135 0.88 PRKCA (0.46) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2278160 0.88 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2272790 0.87 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4211730 0.86 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL395508 0.85 PRKCA (0.62) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276920 0.84 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276936 0.84 PRKCA (0.50) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276864 0.83 PRKCA (0.50) PRKCAMMP12NR1I2CYP3A4CYP2C9

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