SCHEMBL5701883

SCHEMBL5701883

CCCCN1CC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
NR1I2 O75469 1/20 0.43
ACE P12821 1/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRD1 P41143 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
OGA O60502 1/20 0.36
KCNK3 O14649 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5702265 1.00 GBA2 (0.45) GBA2CYP3A4CYP2D6KCNH2NR1I2
SCHEMBL3880995 0.94 GBA1 (0.45) GBA2CYP3A4CYP2D6KCNH2NR1I2
SCHEMBL7132021 0.94 GBA1 (0.45) GBA2CYP3A4CYP2D6KCNH2NR1I2
SCHEMBL7567165 0.94 GBA1 (0.45) GBA2CYP3A4CYP2D6KCNH2NR1I2
SCHEMBL28572785 0.93 GBA1 (0.47) GBA2CYP3A4CYP2D6KCNH2ACE
SCHEMBL2638664 0.89 NR1I2 (0.55) CYP3A4CYP2D6KCNH2NR1I2ACE
SCHEMBL13974938 0.89 NR1I2 (0.55) CYP3A4CYP2D6KCNH2NR1I2ACE
SCHEMBL8892725 0.89 NR1I2 (0.55) CYP3A4CYP2D6KCNH2NR1I2ACE
SCHEMBL5701854 0.88 ACE (0.44) CYP3A4CYP2D6KCNH2ACESMN1; SMN2
SCHEMBL12191654 0.88 ACE (0.44) CYP3A4CYP2D6KCNH2ACESMN1; SMN2

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
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP 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