SCHEMBL9507069

SCHEMBL9507069

CCCC(Oc1c(C)cccc1C)C(=O)NCC1CCCc2c1ccc(O)c2O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ALDH1A1 P00352 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL9503507 0.90 TAS1R3 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9504636 0.82 TAOK1 (0.38) ADRA1DADRA1AADRA1BKDM4C
SCHEMBL9504418 0.77 HTR6 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL9503346 0.76 CA1 (0.41) ADRA1DADRA1AADRA1B
SCHEMBL9503474 0.73 NPC1 (0.40) KDM4C
SCHEMBL9507079 0.68 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9505400 0.66 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9506542 0.66 CA1 (0.41) ADRA1DADRA1AADRA1B
SCHEMBL9503472 0.65 MTNR1A (0.48) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9503348 0.65 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A

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