SCHEMBL18697443

SCHEMBL18697443

CCCC(c1ccccc1)C(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.44
RIPK1 Q13546 2/20 0.41
HRH1 P35367 4/20 0.39
TAAR1 Q96RJ0 5/20 0.38
SLC6A2 P23975 2/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 4/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
Hydrochloric Acid SCHEMBL11128441 0.98 AOC3 (0.43) AOC3RIPK1HRH1TAAR1SLC6A2
Water SCHEMBL11441196 0.98 AOC3 (0.43) AOC3RIPK1HRH1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL11127650 0.87 POLB (0.40) AOC3RIPK1HRH1SLC6A2HTR2A
Water SCHEMBL11427319 0.87 POLB (0.40) AOC3RIPK1HRH1HTR2A
SCHEMBL9147002 0.85 HTR2A (0.44) HTR2A
Water SCHEMBL11427333 0.84 HTR2A (0.43) HTR2A
Water SCHEMBL11427942 0.84 HTR2A (0.43) HTR2A
Hydrochloric Acid SCHEMBL11127848 0.84 HTR2A (0.43) HTR2A
Water SCHEMBL11430588 0.84 HTR2A (0.43) HTR2A
Hydrochloric Acid SCHEMBL578181 0.84 HTR2A (0.43) HTR2A

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-2682438-B1 INK COMPOSITION AND IMAGE FORMING METHOD FUJIFILM CORP (JP) 2017-04-05 EP disclosed