SCHEMBL12460946

SCHEMBL12460946

CCCCC1=NOC(C)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.31
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
MAOA P21397 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12461518 0.94 F10 (0.35) F10NOS3NOS1NOS2CYP1A2
SCHEMBL24960558 0.88 TSHR (0.34) F10
SCHEMBL12461551 0.88
SCHEMBL9512543 0.79
SCHEMBL12727008 0.78 CHRM1 (0.34) F10
SCHEMBL12203390 0.76 MLYCD (0.33) F10
SCHEMBL2362491 0.73 F10 (0.37) F10
SCHEMBL8353750 0.72
SCHEMBL14069080 0.72
SCHEMBL14197030 0.72

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
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed