SCHEMBL6897743

SCHEMBL6897743

c1ccc(CCN2CN(CCc3ccccc3)CN(CCc3ccccc3)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.68
SIGMAR1 Q99720 3/20 0.65
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
MAOA P21397 1/20 0.57
ACHE P22303 1/20 0.57
CCR3 P51677 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53

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
Phenethylamine SCHEMBL8755079 0.89 HTR2A (0.64) SLC6A3SIGMAR1HTR1ADRD2MAOA
SCHEMBL13150782 0.85 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL7264546 0.85 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL6056974 0.85 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL14407778 0.85 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL2876271 0.81 SLC6A3 (1.00) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL9597186 0.81 SLC6A3 (0.91) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL11922748 0.79 SIGMAR1 (1.00) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL10685564 0.79 SIGMAR1 (0.80) SLC6A3SIGMAR1HTR1ADRD2CCR3
SCHEMBL7003079 0.79 SLC6A3 (0.61) SLC6A3SIGMAR1HTR1ADRD2MAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171445-B1 OLIGOMERISATION CATALYST BASF AG (DE) 2004-01-21 EP disclosed
EP-1171445-A1 OLIGOMERISATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000058319-A1 OLIGOMERISATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
EP-0766687-B1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
US-5739123-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR TREATING CARDIOVASCULAR DISEASES ZAMBON GROUP S.P.A. (IT) 1998-04-14 US disclosed