SCHEMBL7929356

SCHEMBL7929356

Cc1ccsc1C(=CCCN1CCC=C[C@@H]1C(=O)O)c1sccc1C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 8/20 0.61
PTGS1 P23219 1/20 0.56
PDE4A P27815 1/20 0.56

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
SCHEMBL8531800 0.76 SLC6A1 (0.48) SLC6A1PTGS1PDE4A
SCHEMBL9056729 0.76 SLC6A1 (0.48) SLC6A1PTGS1PDE4A
SCHEMBL5824123 0.74 SLC6A1 (0.68) SLC6A1PTGS1PDE4A
SCHEMBL7768132 0.72 SLC6A1 (0.67) SLC6A1PTGS1PDE4A
SCHEMBL7771106 0.72 SLC6A1 (0.67) SLC6A1PTGS1PDE4A
Tiagabine SCHEMBL342814 0.72 SLC6A1 (1.00) SLC6A1PTGS1PDE4A
Tiagabine SCHEMBL3272861 0.72 SLC6A1 (1.00) SLC6A1PTGS1PDE4A
Tiagabine SCHEMBL34653 0.72 SLC6A1 (1.00) SLC6A1PTGS1PDE4A
Tiagabine SCHEMBL41860 0.71 SLC6A1 (1.00) SLC6A1PTGS1PDE4A
Tiagabine SCHEMBL17493682 0.71 SLC6A1 (1.00) SLC6A1PTGS1PDE4A

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-6225115-B1 DNA encoding taurine and GABA transporters and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed