SCHEMBL19291877

SCHEMBL19291877

CCCC(CCC)COc1cccc(C[C@H](S)CN)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.39
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19291644 0.88 CYSLTR2 (0.45) CYSLTR2CYSLTR1TAAR1MAOBBCHE
SCHEMBL13881670 0.85 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1MAOB
SCHEMBL18550938 0.85 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1MAOB
SCHEMBL18550942 0.85 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1
SCHEMBL18293493 0.85 TAAR1 (0.43) CYSLTR2CYSLTR1TAAR1MAOB
SCHEMBL2204997 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1TSHRMAPK1
SCHEMBL29818812 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1TSHRMAPK1
SCHEMBL2204823 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1TSHRMAPK1
SCHEMBL29819310 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1TSHRMAPK1
SCHEMBL2204829 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1TSHRMAPK1

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-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 — — EP disclosed
Send feedback