SCHEMBL9503511

SCHEMBL9503511

CCCN(C(C)=O)C(Oc1c(OC)cccc1OC)C1CCCc2c1ccc(O)c2O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
TSHR P16473 1/20 0.35
DRD4 P21917 1/20 0.35
HTR5A P47898 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL9507079 0.90 ADRA2A (0.39) TAS1R3TAS1R1TAS1R2ADRA2AADRA2B
SCHEMBL9503481 0.84 AGTR2 (0.40)
SCHEMBL9504640 0.74 PTGER4 (0.37)
SCHEMBL9507191 0.74 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2DRD2KMT2A
SCHEMBL9503507 0.70 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2ADRA2AADRA2B
SCHEMBL9505387 0.69 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9507138 0.68 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9503495 0.67 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2
SCHEMBL9503482 0.63 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL9503472 0.62 MTNR1A (0.48) ADRA1DADRA1AADRA1BDRD2DRD3

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-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed