SCHEMBL9503698

SCHEMBL9503698

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
EBP Q15125 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56

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
SCHEMBL9504574 0.92 ADRA1D (0.55) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL9504487 0.85 ADRA1D (0.74) ADRA1DADRA1AADRA1BSIGMAR1EBP
Hydrochloric Acid SCHEMBL9505511 0.84 ADRA1D (0.73) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL9157336 0.77 DRD2 (0.60) ADRA1DADRA1AADRA1B
SCHEMBL9237628 0.77 DRD2 (0.51) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL9504591 0.76 SIGMAR1 (0.59) SIGMAR1EBPTMEM97
Hydrochloric Acid SCHEMBL9715565 0.76 DRD2 (0.58) ADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL9503531 0.76 ADRA1D (0.63) ADRA1DADRA1AADRA1BSIGMAR1EBP
SCHEMBL30582757 0.75 SIGMAR1 (0.73) SIGMAR1EBPTMEM97
SCHEMBL9506540 0.74 ADRA1D (0.64) 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