SCHEMBL3088796

SCHEMBL3088796

CN(C)CCNC1COc2cc(F)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.64
MMP12 P39900 1/20 0.64
NR1I2 O75469 10/20 0.40
SCN9A Q15858 2/20 0.34
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
TACR1 P25103 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACKR3 P25106 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
SCHEMBL3089838 0.95 PRKCA (0.63) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3098597 0.93 PRKCA (0.55) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3086590 0.91 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKCNH2
Trifluoroacetic Acid SCHEMBL1244063 0.88 PRKCA (0.73) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3080161 0.88 PRKCA (0.82) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3080189 0.88 PRKCA (0.82) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL4206393 0.87 PRKCA (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3092955 0.87 PRKCA (0.76) PRKCAMMP12NR1I2SCN9AKCNH2
Trifluoroacetic Acid SCHEMBL3088447 0.85 PRKCA (0.78) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3092202 0.84 PRKCA (0.67) PRKCAMMP12NR1I2SCN9AKCNH2

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US claimed