SCHEMBL4723904

SCHEMBL4723904

O=C(O)c1cc(-c2cc(F)ccc2C(F)(F)F)c(=O)n2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
RORC P51449 15/20 0.39
PPARG P37231 3/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4721234 0.87 PDE3B (0.46) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL4724319 0.84 PDE3B (0.36) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL4722184 0.82 PDE3B (0.33) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL14102084 0.82 PDE3B (0.34) PDE3BPDE3ARORCPPARGKMT2A
Hydrochloric Acid SCHEMBL4765559 0.81 PDE3B (0.33) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL925047 0.78 PDE3B (0.47) PDE3BPDE3ARORCKMT2A
SCHEMBL924628 0.77 PDE3B (0.42) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL4718971 0.76 CHRM5 (0.33) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL4722680 0.75 WDR5 (0.35) PDE3BPDE3ARORCPPARGKMT2A
SCHEMBL924441 0.68 KDM4E (0.45) PDE3BPDE3A

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed