SCHEMBL11833729

SCHEMBL11833729

CN(C)CC(O)c1ccc2c(c1)Cc1cc(C(O)CN(C)C)ccc1O2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 7/20 0.52
▸ ADRB2 P07550 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 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
SCHEMBL11834556 0.85 AOC3 (0.40) AOC3ADRB2ABCC4PTGS1SLC6A2
Hydrochloric Acid SCHEMBL11730608 0.82 AOC3 (0.39) AOC3ADRB2ABCC4PTGS1
SCHEMBL11842841 0.82 AOC3 (0.39) AOC3ADRB2ABCC4PTGS1
SCHEMBL11726513 0.79 AOC3 (0.38) AOC3ADRB2ABCC4PTGS1
SCHEMBL11727309 0.77 AOC3 (0.36) AOC3ADRB2ABCC4PTGS1SLC6A2
SCHEMBL11731938 0.76 CACNA1F (0.39) AOC3ADRB2ABCC4PTGS1SLC6A2
SCHEMBL11734266 0.76 PTGS1 (0.37) AOC3ADRB2ABCC4PTGS1SLC6A4
Hydrochloric Acid SCHEMBL11727411 0.75 CACNA1F (0.39) AOC3ABCC4PTGS1SLC6A4
SCHEMBL11732460 0.74 MEN1 (0.36) AOC3ABCC4PTGS1
SCHEMBL19249625 0.73 AOC3 (0.43) AOC3ADRB2SLC6A2SLC6A4SLC6A3

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
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
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