SCHEMBL11240697

SCHEMBL11240697

O=C(CN1CCCC1=O)NCc1cccc(CNC(=O)CN2CCCC2=O)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.51
NQO2 P16083 1/20 0.48
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
GRK2 P25098 1/20 0.43
MAPK1 P28482 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.43
ATAD2 Q6PL18 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
SLC8A1 P32418 1/20 0.42

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
SCHEMBL11251993 0.82 LMNA (0.58) HTTLMNANQO2TSHRMAPK14
SCHEMBL11243322 0.78 HTT (0.68) HTTLMNANQO2TSHRMAPK14
SCHEMBL11242670 0.76 HTT (0.59) HTTLMNANQO2TSHRALDH1A1
SCHEMBL1397958 0.73 HTT (0.56) HTTLMNANQO2TSHRCTDSP1
SCHEMBL9202868 0.73 HTT (0.56) HTTLMNANQO2TSHRKMT2A
SCHEMBL11512524 0.73 HTT (0.82) HTTLMNATSHRMAPK14ALDH1A1
SCHEMBL11391291 0.73 HTT (1.00) HTTLMNATSHRALDH1A1MAPT
Dupracetam SCHEMBL1814646 0.72 TSHR (0.63) HTTLMNATSHRALDH1A1KMT2A
SCHEMBL11245716 0.72 HTT (0.55) HTTLMNANQO2TSHRMAPK1
SCHEMBL9208885 0.72 HTT (0.55) HTTLMNANQO2TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324787-A 2-Oxo-1-pyrrolidineacetic acid compounds and their medicinal use TROPONWERKE GMBH & CO., KG (DE) 1982-04-13 US disclosed
EP-0003029-B1 NEW 2-OXO-1-PYRROLIDINE ACETIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION Troponwerke GmbH & Co. KG (DE) 1980-12-10 EP disclosed
EP-0003029-A2 New 2-oxo-1-pyrrolidine acetic acid derivatives, process for their preparation, medicaments containing them and process for their preparation Troponwerke GmbH & Co. KG (DE) 1979-07-25 EP disclosed