SCHEMBL23716658

SCHEMBL23716658

[CH2]CCC#Cc1ccc(C2=CCN(CCC(C)(C(=O)NO)S(C)(=O)=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43

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
SCHEMBL19989589 0.92 DRD2 (0.43) DRD2DRD4DRD3
SCHEMBL19989608 0.92 DRD2 (0.43) DRD2DRD4DRD3
SCHEMBL19989594 0.90 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL19989645 0.90 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL19989687 0.90
SCHEMBL19989592 0.90 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL19989606 0.90 DRD2 (0.43) DRD2DRD4DRD3
SCHEMBL19989663 0.90 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL19989721 0.88 DRD2 (0.40) DRD2DRD4DRD3
SCHEMBL19989650 0.88 DRD2 (0.40) DRD2DRD4DRD3

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