SCHEMBL9503481

SCHEMBL9503481

CCCN(C(C)=O)C(Oc1c(OC)cccc1OC)C1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.40
BCHE P06276 7/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
SCN9A Q15858 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
AGTR1 P30556 2/20 0.37

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
SCHEMBL9504640 0.92 PTGER4 (0.37) AGTR2TRPM8
SCHEMBL9503511 0.84 TAS1R3 (0.41)
SCHEMBL9504551 0.75 NPSR1 (0.42) BCHE
SCHEMBL9503474 0.74 NPC1 (0.40) AGTR2CA1CA2ACHEAGTR1
SCHEMBL9507079 0.73 ADRA2A (0.39)
SCHEMBL9503470 0.72 CA1 (0.40) AGTR2CA1CA2ACHESCN9A
SCHEMBL21091907 0.69 KMT2A (0.51)
SCHEMBL21091908 0.69 KMT2A (0.51)
SCHEMBL9814112 0.68 MAOA (0.45) AGTR2BCHECA1CA2ACHE
SCHEMBL9507191 0.66 TAS1R3 (0.36) ACHE

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 3 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