SCHEMBL9012634

SCHEMBL9012634

O=C1CCC(C(=O)N2CCOCC2CN2CCCCC2)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.45
OPRK1 P41145 12/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL8562736 1.00 UTS2R (0.45) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8562223 0.90 UTS2R (0.46) UTS2ROPRK1HRH3NPC1CYP1A2
Hydrochloric Acid SCHEMBL8560223 0.89 UTS2R (0.46) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8557588 0.86 OPRK1 (0.53) UTS2ROPRK1HRH3NPC1CYP1A2
Hydrochloric Acid SCHEMBL8564797 0.85 OPRK1 (0.52) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8562487 0.85 UTS2R (0.41) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8562116 0.84 UTS2R (0.46) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8562238 0.84 UTS2R (0.42) UTS2ROPRK1HRH3
Hydrochloric Acid SCHEMBL8559887 0.84 UTS2R (0.40) UTS2ROPRK1HRH3NPC1CYP1A2
SCHEMBL8834793 0.82 OPRK1 (0.39) OPRK1HRH3NPC1CYP1A2CYP3A4

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
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US claimed