SCHEMBL23734892

SCHEMBL23734892

CN(C)c1ccc(C#Cc2ccc(C3=CCN(CCC(C)(C(=O)O)[S+](C)[O-])CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
KCNA3 P22001 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SIGMAR1 Q99720 5/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL20025216 0.82 MAPK1 (0.46) MAPK1PPARGPPARADRD2DRD4
SCHEMBL23735024 0.82 KDM4E (0.44) PPARGPPARADRD2DRD4DRD3
SCHEMBL19989562 0.82 MAPK1 (0.42) MAPK1PPARGPPARADRD2DRD4
SCHEMBL23735090 0.80 QDPR (0.39) PPARGPPARADRD2DRD4DRD3
SCHEMBL20025573 0.79 MAPK1 (0.47) MAPK1PPARGPPARADRD2DRD4
SCHEMBL23735038 0.78 PPARG (0.43) PPARGPPARAKDM4ESIGMAR1S1PR1
SCHEMBL23735012 0.78 DRD2 (0.40) PPARGPPARADRD2DRD4DRD3
SCHEMBL20025535 0.78 MAPK1 (0.41) MAPK1PPARGPPARADRD2DRD4
SCHEMBL23735066 0.77 PPARG (0.37) PPARGPPARADRD2DRD4DRD3
SCHEMBL23734914 0.77 DRD2 (0.40) PPARGPPARADRD2DRD4DRD3

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