SCHEMBL8459686

SCHEMBL8459686

CCN(C(=O)C1CCN(CCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.60
OPRD1 P41143 7/20 0.60
OPRK1 P41145 7/20 0.60
ADRA1A P35348 3/20 0.60
ADRA1B P35368 3/20 0.60
SLC22A1 O15245 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB1 P08183 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CHRM3 P20309 1/20 0.60
MAOA P21397 1/20 0.60
DRD4 P21917 1/20 0.60
MAOB P27338 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
CHRNA4 P43681 1/20 0.60
SLC6A3 Q01959 1/20 0.60

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
SCHEMBL5871004 0.86 KDM4E (0.60) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL27532290 0.81 HTR2A (0.68) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL4558490 0.79 HTT (0.55) ADRA1AADRA1BDRD4HTR2ACCR5
SCHEMBL24726680 0.79 OPRD1 (0.76) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL3094944 0.78 OPRM1 (0.68) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL17275267 0.78 HTT (0.54) CCR5MEN1ALDH1A1TSHRKMT2A
SCHEMBL1519356 0.78 HTR2A (0.75) OPRM1SIGMAR1HTR2A
SCHEMBL27300983 0.78 HTR2A (0.75) OPRM1SLC6A3KCNH2SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL31093248 0.78 OPRD1 (0.74) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL3087687 0.78 ACHE (0.60) OPRM1OPRD1OPRK1ADRA1AADRA1B

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
WO-1999043323-A1 COMPOUNDS AND METHODS FOR CHEMOSENSITIZING MULTIDRUG RESISTANT CELLS FOX CHASE CANCER CENTER (US) 1999-09-02 WO disclosed