SCHEMBL9504460

SCHEMBL9504460

CCCN(CCOc1c(Cl)cccc1Cl)C1CCc2c(ccc(OC(C)=O)c2OC(C)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
HTR7 P34969 3/20 0.50
DRD2 P14416 9/20 0.48
DRD3 P35462 8/20 0.48
DRD4 P21917 4/20 0.48
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
ADRB2 P07550 1/20 0.47

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
Hydrochloric Acid SCHEMBL9503335 0.89 HTR1A (0.48) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9507116 0.89 HTR1A (0.48) HTR1AHTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9503447 0.88 HTR1A (0.49) HTR1AHTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9503733 0.88 HTR1A (0.47) HTR1AHTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9711613 0.88 HTR1A (0.47) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL14507259 0.83 DRD2 (0.47) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9507115 0.81 DRD2 (0.70) HTR1AHTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL9504453 0.81 DRD2 (0.69) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9505378 0.79 DRD3 (0.44) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL21040943 0.79 DRD2 (0.49) HTR1AHTR7DRD2DRD3DRD4

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