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SCHEMBL394673

SCHEMBL394673

CN(CCN(CC(C)(C)C)C(=O)O)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)N(Cc3ccccc3)S(=O)(=O)CCCCl)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ NR1I2 O75469 2/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ OXTR P30559 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL2993056 0.92 PRKCA (0.37) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL394672 0.90 PRKCA (0.34) PRKCAMMP12NR1I2SCN9ACYP3A4
Hydrochloric Acid SCHEMBL394360 0.88 PRKCA (0.35) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2993061 0.88 PRKCA (0.35) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL394671 0.87 PRKCA (0.35) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL5402256 0.75 PRKCA (0.47) PRKCAMMP12
SCHEMBL393462 0.72 PRKCA (0.45) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL393583 0.72 PRKCA (0.39) PRKCAMMP12SCN9ACYP3A4CYP2C9
SCHEMBL2907228 0.69 PRKCA (0.50) PRKCAMMP12NR1I2SCN9A
SCHEMBL14448756 0.69 PRKCA (0.43) PRKCAMMP12SCN9A

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-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 — — US disclosed