SCHEMBL9322130

SCHEMBL9322130

C1CN=C(C2CCC(C3=NCCCO3)CC2)OC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1A P35348 2/20 0.35
NISCH Q9Y2I1 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
SCHEMBL25209847 0.91 NOS3 (0.41) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL2778023 0.85 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL19612832 0.85
SCHEMBL961726 0.81 ADRA2A (0.44) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL11740603 0.81
SCHEMBL961378 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1ANISCH
Hydrogen Sulfide SCHEMBL721911 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL2782843 0.73 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL471865 0.67 ADRA2A (0.44) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL131539 0.66 NOS3 (0.55) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 EP disclosed
US-5240744-A Containing oxazoline or oxazine ring structure HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-08-31 US disclosed
US-5189094-A Reacting a poly(cyclic iminoether), and ethylenically unsaturated compounds TEIJIN LIMITED (JP) 1993-02-23 US disclosed
EP-0482031-A1 COATING PROCESS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-04-29 EP disclosed
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US disclosed
WO-1991001354-A1 COATING PROCESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-02-07 WO disclosed
US-4931512-A REACTING POLY(CYCLIC IMINOETHER) WITH POLYOLS OR POLYAMINES, ACID CATALYST; CURABLE TEIJIN LIMITED (JP) 1990-06-05 US disclosed
US-4910265-A Poly(cyclic iminoether) and an acid catalyst TEIJIN LIMITED (JP) 1990-03-20 US disclosed
EP-0336390-A2 Process for producing thermoset resin TEIJIN LIMITED (JP) 1989-10-11 EP disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 EP disclosed
EP-0273368-A2 Process for producing thermoset resin TEIJIN LIMITED (JP) 1988-07-06 EP disclosed