SCHEMBL9503482

SCHEMBL9503482

CCCN(C(=O)COc1c(OC)cccc1OC)C1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.53
DRD1 P21728 2/20 0.53
ADRA1D P25100 5/20 0.52
ADRA1A P35348 5/20 0.52
ADRA1B P35368 5/20 0.52
DRD3 P35462 6/20 0.49
DRD4 P21917 5/20 0.49
HTR1A P08908 2/20 0.46
DRD5 P21918 1/20 0.43
HTR7 P34969 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL9503349 0.89 DRD2 (0.55) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL9506547 0.88 DRD2 (0.54) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL9503516 0.82 DRD2 (0.69) DRD2DRD1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9711610 0.81 DRD2 (0.67) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7391777 0.79 ADRA1D (0.59) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7391776 0.79 ADRA1D (0.59) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7785750 0.78 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785753 0.78 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL9503568 0.77 DRD2 (0.41) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL2699278 0.76 DRD2 (0.66) DRD2DRD3DRD4HTR1A

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