SCHEMBL9504551

SCHEMBL9504551

CCCN(CC1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1)C(=O)COc1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 9/20 0.41
APP P05067 2/20 0.41
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL9503481 0.75 AGTR2 (0.40) BCHE
SCHEMBL9503474 0.74 NPC1 (0.40) SIGMAR1
SCHEMBL9442784 0.71 ALDH1A1 (0.49) NPSR1
SCHEMBL9503470 0.70 CA1 (0.40)
SCHEMBL21091908 0.69 KMT2A (0.51) HTR1ASLC6A4
SCHEMBL21091907 0.69 KMT2A (0.51) HTR1ASLC6A4
SCHEMBL9504640 0.68 PTGER4 (0.37)
SCHEMBL11214829 0.68 BCHE (0.44) BCHE
SCHEMBL9814112 0.68 MAOA (0.45) BCHEHTR1ASIGMAR1
SCHEMBL9504636 0.67 TAOK1 (0.38) HTR1A

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