SCHEMBL9505400

SCHEMBL9505400

CCCN(CCOc1c(C)cccc1C)CC1CCCc2c1ccc(O)c2O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.64
ADRA2B P18089 5/20 0.64
ADRA2C P18825 5/20 0.64
ADRA1D P25100 5/20 0.64
ADRA1A P35348 5/20 0.64
ADRA1B P35368 5/20 0.64
KDM4E B2RXH2 1/20 0.39

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 SCHEMBL9503348 0.99 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9505387 0.89 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9507138 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9504463 0.87 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9506571 0.83 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL9523064 0.75 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9504432 0.75 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10817548 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9503363 0.74 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11214217 0.73 ADRA2A (0.76) 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