SCHEMBL7026720

SCHEMBL7026720

CCCc1c[nH]nc1CCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
GLA P06280 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
Bromide SCHEMBL28162241 0.98 HMGCR (0.31) HMGCR
SCHEMBL28298752 0.92
SCHEMBL20927578 0.89 ATM (0.34) GLAHCAR2
SCHEMBL7016897 0.83 HRH3 (0.38) HCAR3HCAR2
SCHEMBL370841 0.81 TDP1 (0.35) HCAR3HCAR2
SCHEMBL28300226 0.79 LIPG (0.38) HCAR2
SCHEMBL28300224 0.79 LIPG (0.38) HCAR2
SCHEMBL27671187 0.79 LIPG (0.38) HCAR2
Bromide SCHEMBL28162693 0.78 LIPG (0.37) HCAR2
Bromide SCHEMBL28162087 0.78 LIPG (0.37) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831583-B N, N- dialkyl group substituted pyrazolecarboxylic ionic liquid, preparation method and its method for catalyzing and synthesizing propene carbonate 河南大学 2019-05-10 CN disclosed
CN-106831583-A N, N dialkyl group substituted pyrazolecarboxylic ionic liquid, preparation method and its method for catalyzing and synthesizing propene carbonate 河南大学 2017-06-13 CN disclosed
EP-0789062-B1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL IND LTD (JP) 2003-01-22 EP disclosed
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 EP disclosed