SCHEMBL4723736

SCHEMBL4723736

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC(C)N3)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
P2RX7 Q99572 1/20 0.33
SOS1 Q07889 2/20 0.30
HSD11B1 P28845 3/20 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
SCHEMBL4723739 1.00 PDE3B (0.34) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4723031 0.91 P2RX7 (0.37) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4723038 0.91 P2RX7 (0.37) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4720122 0.90 P2RX7 (0.34) PDE3BPDE3AP2RX7SOS1
SCHEMBL4719218 0.90 P2RX7 (0.34) PDE3BPDE3AP2RX7SOS1
SCHEMBL4719220 0.90 P2RX7 (0.34) PDE3BPDE3AP2RX7SOS1
SCHEMBL4723851 0.88 PDE3B (0.34) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4723849 0.88 PDE3B (0.34) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4720289 0.88 P2RX7 (0.36) PDE3BPDE3AP2RX7SOS1HSD11B1
SCHEMBL4720292 0.88 P2RX7 (0.36) PDE3BPDE3AP2RX7SOS1HSD11B1

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