SCHEMBL6220141

SCHEMBL6220141

Cc1cc(C)n2nc(CC3=C(O)C[C@](CCc4ccc(C5(C#N)CC5)c(Cl)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TP53 P04637 6/20 0.32
POLB P06746 5/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
PDE10A Q9Y233 1/20 0.30
RECQL P46063 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
SCHEMBL3986099 1.00 TSHR (0.34) TSHRTP53POLBRXFP1MAPT
SCHEMBL3987978 0.93 TSHR (0.34) TSHRPOLBPDE10ARECQL
SCHEMBL6218685 0.91 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL3988459 0.91 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL3991236 0.91 TSHR (0.34) TSHRPOLBPDE10A
SCHEMBL4470123 0.91 TSHR (0.33) TSHR
SCHEMBL4473555 0.90 TSHR (0.36) TSHRTP53POLBRXFP1MAPT
SCHEMBL3987690 0.89 TSHR (0.39) TSHRTP53POLBRXFP1MAPT
SCHEMBL3987234 0.89 TSHR (0.35) TSHRTP53POLBRXFP1MAPT
SCHEMBL3993117 0.89 TSHR (0.38) TSHRTP53POLBRXFP1MAPT

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