SCHEMBL6880931

SCHEMBL6880931

CN(C=O)C1=NCCCN1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NISCH Q9Y2I1 3/20 0.34
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL6878393 0.88
SCHEMBL3281643 0.76
SCHEMBL8144755 0.69 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL12562500 0.69 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL18651774 0.69 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL9387938 0.66
SCHEMBL3469069 0.64 TAAR1 (0.34) NISCHADRA2AADRA2BADRA2CADRA1D
SCHEMBL9724806 0.62 NOS3 (0.41) NOS3NOS1NOS2NISCHGAA
SCHEMBL171997 0.61
SCHEMBL3281539 0.61

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-2011094285-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR INHIBITING PROGRESSION OF, PATHOGENIC OCULAR NEOVASCULARIZATION BAUSCH & LOMB INCORPORATED (US) 2011-08-04 WO disclosed