SCHEMBL3067702

SCHEMBL3067702

N#Cc1ccc2[nH]cc(OC(=O)CC(O)(CC(=O)O)C(=O)O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 6/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
IDO1 P14902 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CDK2 P24941 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL4763400 0.80 SLC22A6 (0.52) L3MBTL1
SCHEMBL27602917 0.77 SLC6A4 (0.43) GUSBL3MBTL1SLC6A4NR3C1NR3C2
SCHEMBL7364794 0.75 SLC22A6 (0.57) GUSBL3MBTL1SLC6A4IDO1HTR6
SCHEMBL8916401 0.75 HTR1A (0.37) L3MBTL1HTR6
SCHEMBL27623627 0.74 L3MBTL1 (0.45) GUSBL3MBTL1SLC6A4IDO1HTR6
SCHEMBL27713315 0.74 SLC6A4 (0.44) GUSBL3MBTL1SLC6A4NR3C1NR3C2
Citric Acid SCHEMBL3067698 0.73 IMPDH2 (0.61) L3MBTL1SLC6A4
SCHEMBL4485828 0.68 TSHR (0.64) SLC6A4DRD2DRD4DRD3CDK2
SCHEMBL1434181 0.67 F7 (0.58) SLC6A4IDO1CDK2HTR6
SCHEMBL24328924 0.67 SMN1; SMN2 (0.60) SLC6A4NR3C1NR3C2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101772497-A New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate ASTRAZENECA AB 2010-07-07 CN claimed
US-20100267720-A1 Crystalline Forms of 2-Hydroxy-3- [5- (Morpholin- 4- Ylmethyl) Pyridin-2-YL] IH- Indole- 5 -Carbonitrile Citrate ASTRAZENECA AB (SE) 2010-10-21 US disclosed
CN-101772497-A New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate ASTRAZENECA AB 2010-07-07 CN disclosed
CN-101772497-A New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate ASTRAZENECA AB 2010-07-07 CN disclosed
CN-101679353-A A new process for the manufacturing of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1h-indole-5-carbonitrile 701 ASTRAZENECA AB 2010-03-24 CN disclosed
WO-2007089193-A1 A PROCESS FOR PREPARING 2-HYDROXY-3- [5- (MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL] LH-INDOLE-5-CARBONITRILE AS A FREE BASE OR SALTS THEREOF ASTRAZENECA AB (SE) 2007-08-09 WO disclosed