SCHEMBL4695264

SCHEMBL4695264

NC(=NCc1ccccc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.46
GRIN1 Q05586 10/20 0.46
GBA1 P04062 1/20 0.46
NOS2 P35228 1/20 0.46
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
SIGMAR1 Q99720 2/20 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
Hydrochloric Acid SCHEMBL3629625 0.98 GRIN2B (0.45) GRIN2BGRIN1GBA1NOS2GRIN2D
Hydrochloric Acid SCHEMBL19385070 0.89 GRIN2B (0.42) GRIN2BGRIN1GBA1NOS2GRIN2D
SCHEMBL19385203 0.72 NOS2 (0.47) GRIN2BGRIN1NOS2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL873951 0.71 NOS2 (0.46) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL3536653 0.70 GBA1 (0.53) GBA1SIGMAR1
SCHEMBL19986856 0.70 GRIN2B (0.47) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL45769 0.68 GRIN2B (0.68) GRIN2BGRIN1NOS2GRIN2DGRIN3B
SCHEMBL8657131 0.68 GBA1 (0.50) GBA1SIGMAR1
SCHEMBL1477277 0.68 GBA1 (0.50) GBA1
Hydrochloric Acid SCHEMBL9310454 0.67 GBA1 (0.49) GBA1

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-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed