SCHEMBL8936290

SCHEMBL8936290

O=C(O)C1CCCN(CCCN2c3ccccc3CCc3cccnc32)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.66
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51

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
SCHEMBL7611104 0.89 SLC6A1 (0.81) SLC6A1
SCHEMBL7607370 0.89 SLC6A1 (0.81) SLC6A1
SCHEMBL8936269 0.88 SLC6A1 (0.62) SLC6A1
Hydrochloric Acid SCHEMBL8194496 0.88 SLC6A1 (0.80) SLC6A1
Hydrochloric Acid SCHEMBL8205057 0.88 SLC6A1 (0.80) SLC6A1
SCHEMBL8936272 0.87 SLC6A1 (0.54) SLC6A1
SCHEMBL7605625 0.86 SLC6A1 (0.81) SLC6A1
SCHEMBL7608608 0.85 SLC6A1 (0.76) SLC6A1
Hydrochloric Acid SCHEMBL8187342 0.85 SLC6A1 (0.80) SLC6A1
Hydrochloric Acid SCHEMBL8187707 0.84 SLC6A1 (0.74) SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031469-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-10-10 WO claimed