SCHEMBL20025239

SCHEMBL20025239

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
DRD4 P21917 4/20 0.38
PPARG P37231 7/20 0.38
PPARA Q07869 7/20 0.38
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL28811343 0.93 PPARG (0.42) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989701 0.91 PPARG (0.37) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989691 0.90
SCHEMBL23735030 0.88 DRD2 (0.45) DRD2DRD3DRD4PPARGPPARA
SCHEMBL23735068 0.85 DRD2 (0.43) DRD2DRD3DRD4PPARGPPARA
SCHEMBL23734851 0.85 DRD2 (0.45) DRD2DRD3DRD4PPARGPPARA
SCHEMBL28811903 0.81 DRD2 (0.46) DRD2DRD3DRD4PPARGPPARA
SCHEMBL19989622 0.81 DRD3 (0.42) DRD2DRD3DRD4PPARGPPARA
SCHEMBL28811383 0.80 DRD2 (0.46) DRD2DRD3DRD4PPARGPPARA
SCHEMBL20025535 0.80 MAPK1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 WO disclosed