SCHEMBL2148952

SCHEMBL2148952

CCCOc1nc(OCC(C)C)nc2oc(-c3cc(C)c([O])c(C)c3)nc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL2146485 0.91 PDE1A (0.31) PDE1APDE1BPDE1C
SCHEMBL14798762 0.86 S1PR1 (0.44)
SCHEMBL2146715 0.82 S1PR1 (0.40) PDE1APDE1BPDE1C
SCHEMBL2146687 0.80 PPARA (0.34)
SCHEMBL2146203 0.79 PTGS2 (0.31)
SCHEMBL2146481 0.79 S1PR1 (0.33)
SCHEMBL2146707 0.79 S1PR1 (0.38) PDE1APDE1BPDE1C
SCHEMBL2146681 0.79 NPSR1 (0.34)
SCHEMBL2146623 0.78 S1PR1 (0.39)
SCHEMBL2146320 0.78 S1PR1 (0.50)

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
WO-2011086077-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed