SCHEMBL28811383

SCHEMBL28811383

CC(CCN1CC=C(c2ccc(C#CCCCCO)cc2)CC1)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 5/20 0.46
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
KCNA3 P22001 1/20 0.36

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
SCHEMBL28811903 0.97 DRD2 (0.46) DRD2DRD3DRD4PPARGPPARA
SCHEMBL23735030 0.92 DRD2 (0.45) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989663 0.91 DRD2 (0.41) DRD2DRD3DRD4
SCHEMBL19989590 0.91 DRD2 (0.41) DRD2DRD3DRD4PPARGPPARA
SCHEMBL28810919 0.90 DRD2 (0.44) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989565 0.89 DRD2 (0.43) DRD2DRD3DRD4PPARGPPARA
SCHEMBL28811343 0.88 PPARG (0.42) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989622 0.88 DRD3 (0.42) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989594 0.88 DRD2 (0.42) DRD2DRD3DRD4
SCHEMBL23734924 0.85 DRD2 (0.36) DRD2DRD3DRD4PPARGPPARA

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed