SCHEMBL25949865

SCHEMBL25949865

CCOC(=O)c1c(CN)n(C)c2cc(OC3CCCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
ALOX5 P09917 8/20 0.42
S1PR3 Q99500 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ACSL1 P33121 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL25942916 0.99 POLB (0.45) MAOAMAOBGAAPOLBTSHR
SCHEMBL25943291 0.90 MAOA (0.46) MAOAMAOBGAAPOLBTSHR
SCHEMBL25943144 0.90 POLB (0.46) MAOAMAOBGAAPOLBTSHR
SCHEMBL25943145 0.89 POLB (0.48) MAOAMAOBGAAPOLBTSHR
SCHEMBL25943290 0.88 MAOA (0.47) MAOAMAOBGAAPOLBTSHR
SCHEMBL25948964 0.87 S1PR3 (0.45) MAOAMAOBGAAPOLBTSHR
SCHEMBL25939012 0.87 MAPT (0.54) MAOAMAOBGAAPOLBTSHR
SCHEMBL25938977 0.85 MAPT (0.55) MAOAMAOBGAAPOLBALOX5
SCHEMBL25949813 0.85 ALOX5 (0.44) MAOAMAOBGAAPOLBTSHR
SCHEMBL25942715 0.83 TSHR (0.46) GAAPOLBTSHRALOX5KDM4E

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed