SCHEMBL9877336

SCHEMBL9877336

O=C1CCC(CCc2ccc3ccccc3c2)N1O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
HRH3 Q9Y5N1 3/20 0.41
CYP1A2 P05177 1/20 0.41
NAAA Q02083 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL9877820 0.81 NAAA (0.43) HCRTR1HCRTR2NAAA
SCHEMBL29196393 0.73 HRH3 (0.44) HRH3CYP1A2ACHESLC6A4
SCHEMBL8669331 0.71 BCHE (0.51) HRH3CYP1A2ACHESLC6A4
SCHEMBL12126061 0.70 HRH3 (0.47) HRH3ACHE
SCHEMBL1581891 0.70 GRIN2D (0.50) HRH3CYP1A2ACHE
SCHEMBL8669223 0.68 BCHE (0.59) HRH3CYP1A2ACHESLC6A4
SCHEMBL15599122 0.68 TSHR (0.46) HRH3CYP1A2NAAA
SCHEMBL29196400 0.67 HRH3 (0.47) HRH3CYP1A2NAAAACHESLC6A4
SCHEMBL1612373 0.67 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1612378 0.67 HCRTR1 (0.58) HCRTR1HCRTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed