SCHEMBL9507191

SCHEMBL9507191

CCCN(C(C)=O)C(Oc1c(Cl)cccc1Cl)C1CCCc2cc(O)c(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
ACHE P22303 2/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
FYN P06241 1/20 0.33
HTR6 P50406 1/20 0.32

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
SCHEMBL9507079 0.76 ADRA2A (0.39) TAS1R3TAS1R1TAS1R2DRD2DRD1
SCHEMBL9503511 0.74 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KMT2ADRD2
SCHEMBL9504423 0.70 NPC1 (0.38) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL9504418 0.70 HTR6 (0.38) TAS1R3TAS1R1TAS1R2HTR6
SCHEMBL9504432 0.69 ADRA2A (0.44) IGF1RALOX15KDM4EFYN
Hydrochloric Acid SCHEMBL9503363 0.68 ADRA2A (0.43) IGF1RALOX15KDM4EFYN
Succinic Acid SCHEMBL9505506 0.68 ADRA2A (0.39) TAS1R3TAS1R1TAS1R2ACHEKDM4E
SCHEMBL9504640 0.67 PTGER4 (0.37)
SCHEMBL9504412 0.67 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2IGF1RALOX15
SCHEMBL9503722 0.66 ADRA2A (0.43) KDM4EDRD2FYN

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 2 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