Tuaminoheptane

Tuaminoheptane

SCHEMBL8359697

CCCCCC(C)N.O=C(O)O.O=C(O)O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Tuaminoheptane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.76
TP53 P04637 1/20 0.72
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
GPR84 Q9NQS5 5/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50

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
Tuaminoheptane SCHEMBL3365884 1.00 OPRM1 (0.76) OPRM1TP53GRIK1GRIK2SLC1A2
Tuaminoheptane SCHEMBL25287775 1.00 OPRM1 (0.76) OPRM1TP53GRIK1GRIK2SLC1A2
Bicarbonate SCHEMBL9188645 0.98 OPRM1 (0.73) OPRM1TP53GRIK1GRIK2SLC1A2
Tuaminoheptane SCHEMBL5568060 0.93 OPRM1 (0.73) OPRM1TP53GRIK1GRIK2SLC1A2
Bicarbonate SCHEMBL6548682 0.93 OPRM1 (0.64) OPRM1TP53GRIK1GRIK2SLC1A2
Carbamic Acid SCHEMBL28702337 0.91 OPRM1 (0.70) OPRM1TP53GRIK1GRIK2SLC1A2
Acetic Acid SCHEMBL5575019 0.91 OPRM1 (0.70) OPRM1TP53GRIK1GRIK2SLC1A2
Acetic Acid SCHEMBL8094686 0.89 OPRM1 (0.67) OPRM1TP53GRIK1GRIK2SLC1A2
Propionic Acid SCHEMBL5571670 0.89 OPRM1 (0.67) OPRM1TP53GRIK1GRIK2GPR84
SCHEMBL5574135 0.89 OPRM1 (0.67) OPRM1TP53GRIK1GRIK2SLC1A2

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-0923538-A1 COMPOUNDS WHICH CAN FORM COMPLEXES WITH METALS Analyticon AG Biotechnologie Pharmazie (DE) 1999-06-23 EP disclosed
WO-1997049669-A1 COMPOUNDS WHICH CAN FORM COMPLEXES WITH METALS ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1997-12-31 WO disclosed