SCHEMBL8971344

SCHEMBL8971344

O=CCCCCN1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
MAOB P27338 1/20 0.36
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ACHE P22303 1/20 0.36
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HIF1A Q16665 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL8642327 0.98 SPHK1 (0.40) KCNA3SPHK1MAOBARG1ARG2
SCHEMBL2454150 0.94 KCNA3 (0.39) KCNA3SPHK1MAOBARG1ARG2
SCHEMBL2558770 0.86 KCNA3 (0.41) KCNA3SPHK1ARG1ARG2HRH3
SCHEMBL8971073 0.81 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL7285791 0.81 GNAI3 (0.55) SPHK1HRH3HRH2HRH1GNAI3
SCHEMBL7291145 0.79 GNAO1 (0.58) SPHK1HRH3HRH2HRH1GNAI3
SCHEMBL7293988 0.79 GNAO1 (0.58) SPHK1HRH3HRH2HRH1GNAI3
SCHEMBL7284092 0.79 GNAO1 (0.58) SPHK1HRH3HRH2HRH1GNAI3
SCHEMBL7293980 0.79 GNAO1 (0.58) SPHK1HRH3HRH2HRH1GNAI3
SCHEMBL7294260 0.79 GNAO1 (0.58) SPHK1HRH3HRH2HRH1GNAI3

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-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed