SCHEMBL11087785

SCHEMBL11087785

NC(=O)C1(CCCN2CCC(O)CC2)C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.33
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
KCNA3 P22001 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
ACHE P22303 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
SCHEMBL11093762 0.91 HRH3 (0.33) HRH3
SCHEMBL11095162 0.87 L3MBTL1 (0.37) HRH3
SCHEMBL11093408 0.85 L3MBTL1 (0.39) HRH3
SCHEMBL11092055 0.84 PAOX (0.38) HRH3
SCHEMBL11089411 0.81 HRH3 (0.40) HRH3HRH1
SCHEMBL11086481 0.77 L3MBTL1 (0.41) ARG1HRH3ACHE
SCHEMBL11096570 0.77 SCN1A (0.41) HRH3ACHE
SCHEMBL10832070 0.73 ARG1 (0.32) SPHK1ARG1ARG2KCNA3HRH3
SCHEMBL2780336 0.71 SPHK1 (0.33) SPHK1
SCHEMBL11090223 0.70 HRH4 (0.31) HRH2

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-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed