SCHEMBL9504450

SCHEMBL9504450

CCCN(CCOc1c(Cl)cccc1Cl)C1CCc2c(ccc(O)c2OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
DRD3 P35462 7/20 0.54
DRD1 P21728 5/20 0.54
DRD4 P21917 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
LMNA P02545 1/20 0.53
PMP22 Q01453 1/20 0.53
HTR1A P08908 3/20 0.52
HTR7 P34969 3/20 0.52
DRD5 P21918 1/20 0.51
ADRB2 P07550 1/20 0.51

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 SCHEMBL9507124 0.99 DRD2 (0.55) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL22694038 0.90 DRD2 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL9507115 0.86 DRD2 (0.70) DRD2DRD3DRD1DRD4HTR1A
Hydrochloric Acid SCHEMBL9504453 0.85 DRD2 (0.69) DRD2DRD3DRD1DRD4HTR1A
SCHEMBL9506505 0.84 DRD2 (0.43) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL9504552 0.81 DRD2 (0.61) DRD2DRD3DRD1DRD4HTR1A
SCHEMBL9507046 0.79 DRD2 (0.55) DRD2DRD3DRD1DRD4HTR1A
SCHEMBL22703437 0.79 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL22694040 0.79 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL9505378 0.79 DRD3 (0.44) DRD2DRD3DRD1DRD4HTR1A

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