SCHEMBL14220480

SCHEMBL14220480

CC(C)c1ccccc1CCC(=O)I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ CYSLTR2 Q9NS75 7/20 0.39
▸ CYSLTR1 Q9Y271 7/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ LPAR1 Q92633 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL11391402 0.85 IAPP (0.45) GABRA1GABRB2CYSLTR2CYSLTR1SLC6A2
SCHEMBL4601974 0.84 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL4601904 0.82 SMN1; SMN2 (0.40) GABRA1GABRB2CYSLTR2CYSLTR1SLC6A2
SCHEMBL27850986 0.81 IAPP (0.54) GABRA1GABRB2CYSLTR2CYSLTR1SLC6A2
SCHEMBL27613400 0.78 ALDH1A1 (0.48) LPAR1LMNAKMT2AHPGDTSHR
SCHEMBL14613770 0.78 LPAR1 (0.38) GABRA1GABRB2CYSLTR2CYSLTR1SLC6A2
SCHEMBL9839884 0.78 GABRA1 (0.48) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL14441154 0.77 CYSLTR2 (0.58) CYSLTR2CYSLTR1SLC6A3SMN1; SMN2CYP1A2
SCHEMBL6055136 0.75 GABRA1 (0.48) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL30606846 0.75 GABRA1 (0.48) GABRA1GABRB2SLC6A2SLC6A4SLC6A3

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-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
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