SCHEMBL9507079

SCHEMBL9507079

CCCN(C(C)=O)C(Oc1c(C)cccc1C)C1CCCc2c1ccc(O)c2O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
FFAR1 O14842 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL9503511 0.90 TAS1R3 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9504640 0.82 PTGER4 (0.37)
SCHEMBL9507191 0.76 TAS1R3 (0.36) DRD2DRD1TAS1R3TAS1R1TAS1R2
SCHEMBL9507069 0.68 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9505400 0.67 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9503348 0.66 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9507066 0.65 TAS1R3 (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9503349 0.62 DRD2 (0.55) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9503346 0.61 CA1 (0.41) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9504467 0.60 DRD2 (0.71) ADRA1DADRA1AADRA1BDRD2DRD1

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 4 patents. 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
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed
EP-0321968-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed