SCHEMBL23734922

SCHEMBL23734922

COC(=O)C(C)(CCN1CC=C(c2ccc(C#CCCCCNCCO)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.39
DRD2 P14416 6/20 0.39
DRD4 P21917 5/20 0.39
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTR1A P08908 2/20 0.34
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL19989590 0.93 DRD2 (0.41) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989622 0.92 DRD3 (0.42) DRD3DRD2DRD4PPARGPPARA
SCHEMBL23734924 0.88 DRD2 (0.36) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989692 0.87 DRD3 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989659 0.86 DRD2 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19998283 0.86 DRD2 (0.39) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989613 0.84 DRD2 (0.40) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989701 0.84 PPARG (0.37) DRD3DRD2DRD4PPARGPPARA
SCHEMBL28811383 0.83 DRD2 (0.46) DRD3DRD2DRD4PPARGPPARA
SCHEMBL19989663 0.83 DRD2 (0.41) DRD3DRD2DRD4

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-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed