SCHEMBL5685651

SCHEMBL5685651

O=C(O)[C@@H]1CCN1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.56
HTR2A P28223 2/20 0.54
GBA1 P04062 1/20 0.52
KCNH2 Q12809 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AGTR2 P50052 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL5685796 1.00 GRM2 (0.56) GRM2HTR2AGBA1KCNH2MEN1
SCHEMBL5685811 1.00 GRM2 (0.56) GRM2HTR2AGBA1KCNH2MEN1
SCHEMBL5685784 0.90 SIGMAR1 (0.51) GRM2HTR2AKCNH2KMT2AAGTR2
SCHEMBL5686080 0.90 SIGMAR1 (0.51) GRM2HTR2AKCNH2KMT2AAGTR2
SCHEMBL1116547 0.90 ALDH1A1 (0.56) GRM2HTR2AHRH3OPRD1ALDH1A1
SCHEMBL2032734 0.90 ALDH1A1 (0.56) GRM2HTR2AHRH3OPRD1ALDH1A1
SCHEMBL2772130 0.83 LTA4H (0.57) HTR2AGBA1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL2772128 0.83 LTA4H (0.57) HTR2AGBA1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL2772367 0.83 LTA4H (0.57) HTR2AGBA1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5367420 0.83 GRM2 (0.58) GRM2HTR2AGBA1KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
EP-1308519-B1 Process for improving optical purity of azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
EP-1308519-A1 Process for improving optical purity of azetidine-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2003-05-07 EP disclosed
EP-0855446-B1 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-6410279-B1 GENERATING PREFERENTIAL COMPOUND IN SOLUTION; OBTAIN N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACID ESTER, INCUBATE WITH PREFERENTIAL ENZYME, RECOVER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6162621-A Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-19 US disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed
EP-0855446-A2 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-29 EP disclosed