SCHEMBL30855280

SCHEMBL30855280

CCC(N)Cc1cc(OC)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.71
IDO1 P14902 2/20 0.56
ADRA1A P35348 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
AOC3 Q16853 1/20 0.50
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL11609576 1.00 HTR2A (0.71) HTR2AIDO1ADRA1ATAAR1AOC3
SCHEMBL11609582 1.00 HTR2A (0.71) HTR2AIDO1ADRA1ATAAR1AOC3
Hydrochloric Acid SCHEMBL11611171 0.98 HTR2A (0.69) HTR2AIDO1ADRA1ATAAR1AOC3
SCHEMBL5268995 0.85 HTR2A (0.69) HTR2AIDO1ADRA1ATAAR1AOC3
SCHEMBL29171814 0.85 HTR2A (0.69) HTR2AIDO1ADRA1ATAAR1AOC3
Hydrochloric Acid SCHEMBL10921173 0.84 HTR2A (0.67) HTR2AIDO1ADRA1ATAAR1AOC3
SCHEMBL1740902 0.83 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL31545209 0.83 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL1740903 0.83 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL3460220 0.83 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1

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
WO-2024073601-A2 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 WO disclosed