SCHEMBL28214652

SCHEMBL28214652

C[C](C)CN1CCC[C@@H]1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
SCN3A Q9NY46 1/20 0.37
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DPP4 P27487 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ACE P12821 1/20 0.33
BCHE P06276 1/20 0.33
GRM2 Q14416 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
SCHEMBL6967770 0.84 POLB (0.36) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL9110139 0.83 LMNA (0.46) LMNASMN1; SMN2CYP2C19HSD17B10ACE
SCHEMBL27146149 0.83 POLB (0.43) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL27146148 0.83 POLB (0.43) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL1530965 0.81 SMN1; SMN2 (0.46) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL4491733 0.81 SMN1; SMN2 (0.46) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL1031700 0.81 SMN1; SMN2 (0.46) POLBSPHK1SCN3ALMNAMAOA
Acetic Acid SCHEMBL2183485 0.80 SMN1; SMN2 (0.42) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL28794057 0.80 BCHE (0.40) POLBLMNASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL14311856 0.79 SMN1; SMN2 (0.44) POLBSPHK1SCN3ALMNAMAOA

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
CN-108026105-A Tgf beta receptor antagonists 百时美施贵宝公司 2018-05-11 CN disclosed