SCHEMBL7211595

SCHEMBL7211595

CC(C)(C)OC(=O)N1C2C=C(c3cccnc3)CC1CCC2

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
GBA1 P04062 1/20 0.40
P2RX7 Q99572 1/20 0.39
KIT P10721 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
KDM1A O60341 1/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL6491111 0.94 GPR119 (0.46) GPR119CHRNB2CHRNA4GBA1KIT
SCHEMBL12094592 0.94 GPR119 (0.46) GPR119CHRNB2CHRNA4GBA1KIT
SCHEMBL13849977 0.87 CHRNB2 (0.41) CHRNB2CHRNA4P2RX7CHRNB4CHRNA3
SCHEMBL13850001 0.85 GAA (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2072369 0.80 GPR119 (0.43) GPR119
SCHEMBL3034148 0.79 SLC6A2 (0.46) GPR119
SCHEMBL7210016 0.77 SLC6A2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7209988 0.77 SLC6A2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26930516 0.75 JAK1 (0.47) JAK1
SCHEMBL2082641 0.75 CHRNB2 (0.51) GPR119CHRNB2CHRNA4GBA1KIT

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
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed
US-6392045-B1 9-azobicyclo[3.3.1] non-2-ene derivatives as cholinergic ligands at nicotinic ACH receptors NEUROSEARCH A/S (DK) 2002-05-21 US disclosed
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO disclosed