SCHEMBL9220422

SCHEMBL9220422

N[C@@](Cc1ccccn1)(OC(=O)CC(O)C(=O)O[C@@](N)(Cc1ccccn1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.43
FDPS P14324 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 2/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP10 Q53GL7 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
CA2 P00918 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
SCHEMBL9226679 0.78 SMN1; SMN2 (0.43) PTPRAFDPSSMN1; SMN2NPC1RAB9A
SCHEMBL28054527 0.67 HRH1 (0.48) PTPRAFDPSSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL231091 0.65 FDPS (0.56) FDPSSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL8862529 0.64 CYP1A2 (0.42) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL8862781 0.63 HRH1 (0.44) FDPSSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8862654 0.63 FDPS (0.47) PTPRAFDPSSMN1; SMN2NPC1RAB9A
SCHEMBL6638562 0.63 FDPS (0.54) PTPRAFDPSSMN1; SMN2NPC1RAB9A
SCHEMBL29380824 0.63 FDPS (0.54) PTPRAFDPSSMN1; SMN2ALDH1A1MEN1
SCHEMBL2241279 0.63 FDPS (0.54) PTPRAFDPSSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL8862622 0.62 L3MBTL1 (0.45) FDPSNPC1RAB9ALMNAALDH1A1

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-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP claimed