SCHEMBL5630218

SCHEMBL5630218

Cc1ccc(CN)nc1CN

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL930107 0.82 S1PR4 (0.35)
SCHEMBL13343549 0.80 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL2125060 0.79 NOS3 (0.50) NOS3NOS1NOS2
SCHEMBL929424 0.79 KDM4E (0.43) NOS3NOS1NOS2
SCHEMBL9550990 0.76 KDM4E (0.32) NOS3NOS1NOS2
SCHEMBL930346 0.74 ALDH1A1 (0.35)
SCHEMBL928988 0.73 HTR2A (0.42) NOS3NOS1NOS2
SCHEMBL5632552 0.72 NCF1 (0.39) NOS3NOS1NOS2
SCHEMBL4546535 0.72 HTR6 (0.35) NOS3NOS1NOS2
SCHEMBL2688403 0.72 CD274 (0.34) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208603-B2 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2007-04-24 US disclosed
EP-1358179-B1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PF MEDICAMENT (FR) 2006-05-10 EP disclosed
US-20040116705-A1 Reducing amination with cyanohydrin PIERRE FABRE MEDICAMENT (FR) 2004-06-17 US disclosed
EP-1358179-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2003-11-05 EP disclosed
WO-2002064585-A1 SYNTHESIS METHOD AND INTERMEDIATES OF PYRIDIN-2-YL-METHYLAMINE PIERRE FABRE MEDICAMENT (FR) 2002-08-22 WO disclosed