SCHEMBL9505378

SCHEMBL9505378

CCCN(CCOc1c(Cl)cccc1Cl)C1CCc2c(ccc(OCc3ccc(OC(=O)C(C)C)cc3)c2OCc2ccc(OC(=O)C(C)C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.44
DRD2 P14416 11/20 0.43
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
DRD4 P21917 4/20 0.40
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL9507116 0.87 HTR1A (0.48) DRD3DRD2HTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL9503733 0.86 HTR1A (0.47) DRD3DRD2HTR1AHTR7DRD4
SCHEMBL9504460 0.79 HTR1A (0.50) DRD3DRD2HTR1AHTR7DRD4
SCHEMBL9504450 0.79 DRD2 (0.54) DRD3DRD2HTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL9711613 0.78 HTR1A (0.47) DRD3DRD2HTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL9507124 0.78 DRD2 (0.55) DRD3DRD2HTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL9503335 0.77 HTR1A (0.48) DRD3DRD2HTR1AHTR7DRD4
Hydrochloric Acid SCHEMBL9503447 0.77 HTR1A (0.49) DRD3DRD2HTR1AHTR7DRD4
SCHEMBL22703437 0.76 DRD3 (0.62) DRD3DRD2HTR1AHTR7DRD4
SCHEMBL22694040 0.76 DRD3 (0.62) DRD3DRD2HTR1AHTR7DRD4

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