SCHEMBL9753594

SCHEMBL9753594

COC1CCCc2nc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
AKR1C3 P42330 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MCHR1 Q99705 6/20 0.33
IDO1 P14902 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
SCHEMBL868367 0.84 AKR1C3 (0.41) CYP11B1CYP11B2CHRNB2CHRNA4AKR1C3
SCHEMBL20538855 0.76 CHRNB2 (0.39) CYP11B1CYP11B2CHRNB2CHRNA4NOS3
SCHEMBL9406877 0.76 MEN1 (0.34) CYP11B1CYP11B2AKR1C3IDO1
SCHEMBL2728642 0.75 KLKB1 (0.37) CHRNB2CHRNA4
SCHEMBL15309539 0.71 GRM5 (0.38) CYP11B1CYP11B2
SCHEMBL18815407 0.70 DRD2 (0.41) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL31403551 0.70 CYP11B1 (0.35) CYP11B1CYP11B2AKR1C3
SCHEMBL20538854 0.70 SIRT1 (0.37) CHRNB2CHRNA4
SCHEMBL18816757 0.68 CHRNB2 (0.41) CYP11B1CYP11B2CHRNB2CHRNA4DRD2
SCHEMBL18794973 0.68 CHRNB2 (0.41) CYP11B1CYP11B2CHRNB2CHRNA4DRD2

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-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO disclosed