SCHEMBL9504487

SCHEMBL9504487

CCCN(CCOc1ccccc1OC)CCc1ccc(O)c(O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.74
ADRA1A P35348 2/20 0.74
ADRA1B P35368 2/20 0.74
DRD2 P14416 2/20 0.64
DRD1 P21728 2/20 0.64
DRD4 P21917 2/20 0.64
DRD3 P35462 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
DRD5 P21918 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.63
PMP22 Q01453 1/20 0.63
SIGMAR1 Q99720 2/20 0.62
EBP Q15125 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
ADRB2 P07550 2/20 0.60

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 SCHEMBL9505511 0.99 ADRA1D (0.73) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9503531 0.89 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9506540 0.88 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL9505408 0.87 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9504477 0.87 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9504442 0.87 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL9504628 0.86 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9503698 0.85 ADRA1D (0.57) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL9504438 0.84 ADRA1D (0.69) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL9504574 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BSIGMAR1EBP

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