SCHEMBL9503683

SCHEMBL9503683

CCCN(CCOc1c(Cl)cccc1Cl)CCc1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.64
DRD3 P35462 3/20 0.64
ADRA1D P25100 2/20 0.64
ADRA1A P35348 2/20 0.64
ADRA1B P35368 2/20 0.64
DRD1 P21728 2/20 0.64
DRD4 P21917 2/20 0.64
DRD5 P21918 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 2/20 0.63
PMP22 Q01453 1/20 0.63
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

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 SCHEMBL9507149 0.99 DRD2 (0.63) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9504477 0.87 ADRA1D (0.63) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9504578 0.87 DRD2 (0.66) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9504628 0.86 ADRA1D (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9503718 0.86 DRD2 (0.64) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9503494 0.86 DRD2 (0.64) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9504502 0.85 DRD2 (0.63) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9503531 0.85 ADRA1D (0.63) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9504438 0.81 ADRA1D (0.69) DRD2DRD3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9504430 0.81 ADRA1D (0.68) DRD2DRD3ADRA1DADRA1AADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed