SCHEMBL6136129

SCHEMBL6136129

CC(C1=NCCCO1)C1=NCCCO1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL9847231 0.86
SCHEMBL466674 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2C
SCHEMBL24565419 0.82
SCHEMBL18069695 0.79 NOS3 (0.38) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL29733228 0.79 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL21033815 0.77 NOS3 (0.37) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL1648862 0.76 NOS3 (0.40) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL29733444 0.76 CYP2D6 (0.38) NOS3NOS1NOS2
SCHEMBL1648860 0.74 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL1648965 0.73 NOS3 (0.38) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737231-B2 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INC (KR) 2005-11-02 EP disclosed
EP-0737231-B1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INC (KR) 2000-03-08 EP disclosed
EP-0737231-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1996-10-16 EP disclosed
WO-1995018181-A1 THERMAL STABILIZED RESIN COMPOSITIONS KOLON INDUSTRIES, INC. (KR) 1995-07-06 WO disclosed