SCHEMBL5340900

SCHEMBL5340900

Cc1cc(C2CCCN2C(Cc2ccc3c(c2)OCO3)C(N)=O)nc(-n2ccnc2)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.65
NOS1 P29475 4/20 0.65

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
SCHEMBL5448546 0.82 NOS2 (0.70) NOS2NOS1
SCHEMBL3560178 0.79 NOS2 (1.00) NOS2NOS1
SCHEMBL4888882 0.79 NOS2 (1.00) NOS2NOS1
SCHEMBL13037132 0.79 NOS2 (1.00) NOS2NOS1
SCHEMBL5340887 0.78 NOS2 (0.61) NOS2NOS1
SCHEMBL14034519 0.77 NOS2 (0.74) NOS2NOS1
SCHEMBL3569382 0.77 NOS2 (0.75) NOS2NOS1
SCHEMBL4897144 0.77 NOS2 (0.73) NOS2NOS1
Hydrochloric Acid SCHEMBL3571848 0.77 NOS2 (0.74) NOS2NOS1
SCHEMBL4888876 0.76 NOS2 (0.72) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007062417-A1 METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES KALYPSYS, INC. (US) 2007-05-31 WO disclosed