SCHEMBL650888

SCHEMBL650888

CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(Cl)nc3)[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
USP30 Q70CQ3 1/20 0.47
LIPE Q05469 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL653024 1.00 GPR119 (0.47) GPR119USP30LIPECHRNB2CHRNB4
SCHEMBL649953 1.00 GPR119 (0.47) GPR119USP30LIPECHRNB2CHRNB4
SCHEMBL652549 0.92 CHRNB2 (0.48) GPR119USP30CHRNB2CHRNB4CHRNA3
SCHEMBL650346 0.92 CHRNB2 (0.48) GPR119USP30CHRNB2CHRNB4CHRNA3
SCHEMBL6782940 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3579848 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3580915 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7688783 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653985 0.82 CHRNB4 (0.48) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL653986 0.82 CHRNB4 (0.48) GPR119CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed