SCHEMBL20189532

SCHEMBL20189532

CC(=O)NCC(=O)N(C)CC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
PTPRA P18433 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PYGL P06737 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL20190841 0.91 GAA (0.39) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20188296 0.90 GAA (0.39) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20189047 0.90 GPR139 (0.44) GAAPYGLPOLB
SCHEMBL20188659 0.90 MAPT (0.41) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20187735 0.89 PTPRA (0.40) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL22457666 0.89 GAA (0.38) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20188367 0.89 CA2 (0.39) GAAPTPRASMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188026 0.88 MAPT (0.38) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20190022 0.88 PTPRA (0.39) GAAPTPRAMAPTSMN1; SMN2CYP1A2
SCHEMBL20188572 0.88 PTPRA (0.39) GAAPTPRASMN1; SMN2GRIN2DGRIN3B

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
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 WO disclosed