SCHEMBL5262995

SCHEMBL5262995

CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)CO2)ccc1CN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.37
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4468196 0.88 PDE10A (0.36) PDE10ATSHRMAPTTP53CYP1A2
SCHEMBL4479508 0.83 TSHR (0.35) PDE10ATSHRTP53POLBRECQL
SCHEMBL5847322 0.78 TSHR (0.33) PDE10ATSHRRECQL
SCHEMBL4467311 0.77 TSHR (0.37) PDE10ATSHRMAPTTP53POLB
SCHEMBL4466488 0.76 POLB (0.35) PDE10ATSHRMAPTTP53POLB
SCHEMBL4475640 0.76 TSHR (0.36) PDE10ATSHRMAPTTP53POLB
SCHEMBL4477050 0.76 TSHR (0.34) PDE10ATSHRTP53POLB
Hydrochloric Acid SCHEMBL4477492 0.76 TSHR (0.36) PDE10ATSHRMAPTTP53POLB
SCHEMBL4477709 0.75 TSHR (0.36) TSHRMAPTTP53POLBRECQL
SCHEMBL4474149 0.75 TSHR (0.35) PDE10ATSHRTP53POLBRECQL

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-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed