SCHEMBL29323568

SCHEMBL29323568

O=C(c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(O)(O)O)nc1)N1CC[S+]([O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.68
GABRA1 P14867 1/20 0.60
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60

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
SCHEMBL20778905 0.93 GABRA5 (0.69) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL29323905 0.88 GABRA5 (0.78) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20778813 0.88 GABRA5 (0.79) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20778812 0.82 GABRA5 (0.74) GABRA5
SCHEMBL29323855 0.82 GABRA5 (0.76) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL22149683 0.81 GABRA5 (0.87) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4157298 0.81 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20778806 0.81 GABRA5 (0.77) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2923588 0.77 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL4162112 0.76 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3

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
EP-3675845-B1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIV MARYLAND (US) 2024-07-17 EP disclosed