SCHEMBL6205627

SCHEMBL6205627

CN1CCCC1COc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.57
CHRNA3 P32297 6/20 0.57
CHRNB2 P17787 3/20 0.50
CHRNB1 P11230 2/20 0.50
CHRNB3 Q05901 2/20 0.50
CHRNA4 P43681 2/20 0.50

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
SCHEMBL5240331 1.00 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL22106451 0.97 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28311169 0.87 FAAH (0.43) CHRNB4CHRNA3
SCHEMBL28461072 0.87 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28460946 0.87 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28875445 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28311232 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28875444 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL28311231 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL619025 0.85 KDM4E (0.42) CHRNB4CHRNA3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed