SCHEMBL7016897

SCHEMBL7016897

CCCCc1c[nH]nc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
HCAR3 P49019 3/20 0.33
HCAR2 Q8TDS4 3/20 0.33
TYR P14679 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL370841 0.94 TDP1 (0.35) HCAR3HCAR2TYRTLR8
SCHEMBL28300224 0.92 LIPG (0.38) HCAR2TYR
SCHEMBL28300226 0.92 LIPG (0.38) HCAR2TYR
SCHEMBL27671187 0.92 LIPG (0.38) HCAR2TYR
Bromide SCHEMBL28162087 0.90 LIPG (0.37) HCAR2TYR
Bromide SCHEMBL28162693 0.90 LIPG (0.37) HCAR2TYR
Bromide SCHEMBL28162683 0.90 LIPG (0.37) HCAR2TYR
SCHEMBL27797400 0.86 HRH3 (0.35) HRH3HCAR3HCAR2SMPD3
Pyrrole SCHEMBL28216728 0.86 ALOX5 (0.34) HCAR3HCAR2TLR8
Hydrochloric Acid SCHEMBL27645958 0.85 HRH3 (0.34) HRH3HCAR3HCAR2

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
WO-2022025138-A1 CATALYST FOR ORGANIC CARBONATE SYNTHESIS AND METHOD FOR PRODUCING SAME, ELECTRODE FOR ORGANIC CARBONATE SYNTHESIS, CELL FOR ORGANIC CARBONATE SYNTHESIS, METHOD FOR PRODUCING ORGANIC CARBONATE, AND SYNTHESIS SYSTEM 積水化学工業株式会社 2022-02-03 WO 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