SCHEMBL4724044

SCHEMBL4724044

COc1cc(OC)cc(-c2nn(-c3cc(NCC4CC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 6/20 0.39
UTS2R Q9UKP6 4/20 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
MAPT P10636 1/20 0.33
GRM7 Q14831 1/20 0.33
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL4723085 0.97 CNR2 (0.37) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL4724950 0.93 UTS2R (0.36) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL4724087 0.91 UTS2R (0.35) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL4720454 0.90 PDE4A (0.38) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL4721102 0.89 PDE4A (0.37) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL14101739 0.88 PDE4A (0.36) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL14101915 0.88 PDE4A (0.36) CNR2CNR1UTS2RPDE4APDE4B
SCHEMBL4722089 0.88 PDE4A (0.36) CNR2CNR1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL4720194 0.87 PDE4A (0.36) CNR2CNR1UTS2RPDE4APDE4B
Hydrochloric Acid SCHEMBL4723531 0.87 PDE4A (0.36) CNR2CNR1UTS2RPDE4APDE4B

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