SCHEMBL6218685

SCHEMBL6218685

Cc1cc(C)n2nc(CC3=C(O)C[C@](CCc4ccc(C5(C#N)CCCC5)c(F)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL3991236 1.00 TSHR (0.34) TSHRPOLBALDH1A1PDE2APDE10A
SCHEMBL3988459 0.99 TSHR (0.34) TSHRPOLBALDH1A1PDE2APDE10A
SCHEMBL3987978 0.98 TSHR (0.34) TSHRPOLBALDH1A1PDE2APDE10A
SCHEMBL6220141 0.91 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL3986099 0.91 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL4470123 0.90 TSHR (0.33) TSHR
SCHEMBL4473555 0.88 TSHR (0.36) TSHRPOLBALDH1A1PDE10A
SCHEMBL3988141 0.88 TSHR (0.38) TSHRPOLBALDH1A1PDE2APDE10A
SCHEMBL3994475 0.87
SCHEMBL4470441 0.87 TSHR (0.34) TSHRPOLBALDH1A1PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed