SCHEMBL6333052

SCHEMBL6333052

C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cc(F)cc2ccoc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TACR1 P25103 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4B Q07343 1/20 0.37

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
SCHEMBL6333049 1.00 USP30 (0.40) USP30HDAC1HDAC2HDAC4HDAC6
SCHEMBL6333050 1.00 USP30 (0.40) USP30HDAC1HDAC2HDAC4HDAC6
SCHEMBL6334323 0.88 ALDH1A1 (0.43) USP30GPR119MEN1KMT2APDE4B
SCHEMBL6337321 0.88 ALDH1A1 (0.43) USP30GPR119MEN1KMT2APDE4B
SCHEMBL6337325 0.88 ALDH1A1 (0.43) USP30GPR119MEN1KMT2APDE4B
SCHEMBL6334320 0.88 ALDH1A1 (0.43) USP30GPR119MEN1KMT2APDE4B
SCHEMBL6334317 0.88 ALDH1A1 (0.43) USP30GPR119MEN1KMT2APDE4B
SCHEMBL6333294 0.85 GPR119 (0.39) USP30HDAC1HDAC2TACR1GPR119
SCHEMBL6333295 0.85 GPR119 (0.39) USP30HDAC1HDAC2TACR1GPR119
SCHEMBL6333298 0.85 GPR119 (0.39) USP30HDAC1HDAC2TACR1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed