SCHEMBL9504418

SCHEMBL9504418

CCCC(Oc1c(Cl)cccc1Cl)C(=O)NCC1CCCc2cc(O)c(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 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
SCHEMBL9507069 0.77 ADRA2A (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL9503507 0.74 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2
SCHEMBL9504423 0.70 NPC1 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL9507191 0.70 TAS1R3 (0.36) HTR6TAS1R3TAS1R1TAS1R2
SCHEMBL9504432 0.68 ADRA2A (0.44)
SCHEMBL9506542 0.68 CA1 (0.41)
SCHEMBL9504636 0.67 TAOK1 (0.38)
Hydrochloric Acid SCHEMBL9503363 0.67 ADRA2A (0.43)
Succinic Acid SCHEMBL9505506 0.67 ADRA2A (0.39) HTR6TAS1R3TAS1R1TAS1R2
SCHEMBL9503474 0.66 NPC1 (0.40)

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