SCHEMBL7417332

SCHEMBL7417332

Cc1cc(OC(C(=O)OC(C)(C)C)N2CCC2)cnc1C#N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
GPR119 Q8TDV5 7/20 0.32
CTSK P43235 1/20 0.31
AR P10275 1/20 0.31
SYK P43405 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL7416015 0.84 KMT2A (0.34) GPR119
SCHEMBL7413215 0.81 GPR119 (0.41) JAK2JAK1GPR119CTSKAR
SCHEMBL7405119 0.81
SCHEMBL7478112 0.79
SCHEMBL7410349 0.78 CHRNB1 (0.38)
SCHEMBL7476501 0.78 CHRNB2 (0.38) GPR119
SCHEMBL7477219 0.77 SCN9A (0.31)
SCHEMBL7411225 0.76 KMT2A (0.35)
SCHEMBL7412567 0.76 HRH3 (0.36) GPR119
SCHEMBL7411562 0.76 KMT2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed