SCHEMBL7415129

SCHEMBL7415129

Cc1ncccc1OC[C@]1(C(=O)OC(C)(C)C)CCCN1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SSTR4 P31391 2/20 0.40
GPR119 Q8TDV5 12/20 0.38
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
GCK P35557 1/20 0.33

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
SCHEMBL7409190 0.94 SSTR4 (0.42) CHRNB2CHRNA4SSTR4GPR119GCK
SCHEMBL7413163 0.79 NPC1 (0.35) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL14632750 0.77 LMNA (0.37)
SCHEMBL6266474 0.72 MAPT (0.44)
SCHEMBL7409382 0.70 CYP2D6 (0.34)
SCHEMBL6611546 0.70 ENPP1 (0.47)
SCHEMBL7410362 0.68 CYP2D6 (0.32) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6170436 0.68 ARG1 (0.37)
SCHEMBL17395338 0.68 ARG1 (0.37)
SCHEMBL7413347 0.68 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3

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