SCHEMBL8889684

SCHEMBL8889684

COc1ccc2c(c1)N(CCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1CC2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.68
SLC6A11 P48066 4/20 0.55
CHRM1 P11229 1/20 0.53
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52

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
Hydrochloric Acid SCHEMBL8908790 0.99 SLC6A1 (0.67) SLC6A1SLC6A11CHRM1DRD2DRD4
Hydrochloric Acid SCHEMBL8885356 0.99 SLC6A1 (0.67) SLC6A1SLC6A11CHRM1DRD2DRD4
SCHEMBL8196291 0.89 TSHR (0.54) SLC6A1CHRM1DRD2DRD4DRD3
SCHEMBL7611104 0.88 SLC6A1 (0.81) SLC6A1
SCHEMBL7607370 0.88 SLC6A1 (0.81) SLC6A1
Hydrochloric Acid SCHEMBL8205057 0.87 SLC6A1 (0.80) SLC6A1
Hydrochloric Acid SCHEMBL8194496 0.87 SLC6A1 (0.80) SLC6A1
SCHEMBL7605625 0.86 SLC6A1 (0.81) SLC6A1
SCHEMBL7635294 0.86 SLC6A1 (0.68) SLC6A1CHRM1DRD2DRD4DRD3
SCHEMBL7608478 0.86 SLC6A1 (0.68) SLC6A1CHRM1DRD2DRD4DRD3

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
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US claimed