SCHEMBL4724950

SCHEMBL4724950

COc1cc(OC)cc(-c2nn(-c3cc(NCCC4CC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CNR2 P34972 7/20 0.35
CNR1 P21554 3/20 0.35
GRM7 Q14831 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.32
SCD O00767 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4724087 0.97 UTS2R (0.35) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL4724044 0.93 CNR2 (0.39) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL4723085 0.91 CNR2 (0.37) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL4721102 0.91 PDE4A (0.37) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL14101739 0.90 PDE4A (0.36) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL4722089 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL14101915 0.90 PDE4A (0.36) UTS2RPDE4APDE4BPDE4CPDE4D
SCHEMBL4720454 0.90 PDE4A (0.38) UTS2RPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4720194 0.89 PDE4A (0.36) UTS2RPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4723531 0.89 PDE4A (0.36) UTS2RPDE4APDE4BPDE4CPDE4D

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