SCHEMBL6490546

SCHEMBL6490546

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)c1ccccc1N2C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.48
USP30 Q70CQ3 6/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
RORC P51449 1/20 0.43
STS P08842 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL16002483 0.86 GPR119 (0.47) GPR119USP30JAK2JAK1KDM4E
SCHEMBL14039529 0.85 GPR119 (0.53) GPR119USP30JAK2JAK1KDM4E
SCHEMBL1841361 0.79 GPR119 (0.43) GPR119USP30JAK2JAK1KDM4E
SCHEMBL1842300 0.79 GPR119 (0.43) GPR119USP30JAK2JAK1KDM4E
SCHEMBL13944382 0.75 KDM4E (0.43) GPR119USP30JAK2JAK1KDM4E
SCHEMBL14640733 0.75 GPR119 (0.42) GPR119USP30JAK2JAK1KDM4E
SCHEMBL30681428 0.75 BCHE (0.46) GPR119KDM4EPKMRORC
SCHEMBL1841901 0.74 JAK2 (0.41) GPR119USP30JAK2JAK1MEN1
SCHEMBL1844685 0.74 JAK2 (0.41) GPR119USP30JAK2JAK1MEN1
SCHEMBL10127911 0.74 USP30 (0.50) USP30MEN1KMT2A

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-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed