SCHEMBL8910600

SCHEMBL8910600

O=C(O)C1CCCN(CCOc2ccccc2Cc2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.66
DRD1 P21728 5/20 0.66
DRD4 P21917 4/20 0.66
DRD5 P21918 4/20 0.66
DRD3 P35462 3/20 0.66
DRD2 P14416 2/20 0.65
SLC6A1 P30531 1/20 0.57

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
SCHEMBL8910594 1.00 HRH1 (0.66) HRH1DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL8909022 0.99 HRH1 (0.65) HRH1DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL8909029 0.99 HRH1 (0.65) HRH1DRD1DRD4DRD5DRD3
SCHEMBL8773759 0.91 LTA4H (0.64) HRH1DRD1DRD4DRD5DRD3
SCHEMBL8911278 0.88 ALDH1A1 (0.61) HRH1DRD1DRD4DRD5DRD3
SCHEMBL8911288 0.88 ALDH1A1 (0.61) HRH1DRD1DRD4DRD5DRD3
SCHEMBL8873974 0.84 SLC6A1 (0.58) SLC6A1
SCHEMBL8873964 0.84 SLC6A1 (0.58) SLC6A1
SCHEMBL8872620 0.83 SLC6A1 (0.60) SLC6A1
Hydrochloric Acid SCHEMBL8871874 0.83

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
US-5635518-A TREATING CENTRAL NERVOUS SYSTEM AILMENT RELATED TO 4-AMINOBUTYRIC ACID UPTAKE NOVO NORDISK A/S (DK) 1997-06-03 US claimed
EP-0705247-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP claimed
WO-1995000485-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO claimed