SCHEMBL24713145

SCHEMBL24713145

CCC(C)N1CC[C@H](CNC)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1484874 0.83 LMNA (0.36) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL552030 0.83 LMNA (0.36) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL21725302 0.79 LMNA (0.31) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL22778615 0.78 NCF1 (0.42) HTTHRH3DRD2DRD3
SCHEMBL24128021 0.76 HRH3 (0.39) LMNAHRH3DRD2DRD3
SCHEMBL22857058 0.76 SMN1; SMN2 (0.39) LMNASMN1; SMN2HTTMAPTALDH1A1
SCHEMBL3816722 0.75 HRH3 (0.40) ALDH1A1HRH3L3MBTL1
SCHEMBL12568615 0.74 HRH4 (0.35) HRH3DRD2DRD3
SCHEMBL9927933 0.74 HRH4 (0.35) HRH3DRD2DRD3
SCHEMBL25784002 0.74 CYP1A2 (0.38) HRH3DRD2DRD3

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-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed