SCHEMBL7211592

SCHEMBL7211592

CC(C)(C)OC(=O)N1C2CCCC1CC(O)(c1cccnc1)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.54
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
USP2 O75604 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL7211590 1.00 GAA (0.56) GAANPSR1MEN1KMT2AHTT
SCHEMBL6500041 0.95 GAA (0.61) GAANPSR1MEN1KMT2AHTT
SCHEMBL6500038 0.95 GAA (0.61) GAANPSR1MEN1KMT2AHTT
SCHEMBL2584550 0.81 CHRM2 (0.47) GAANPSR1MEN1KMT2AHTT
SCHEMBL24700590 0.81 CHRM2 (0.49) MEN1KMT2ACYP2C19ALDH1A1KDM4E
SCHEMBL12345392 0.81 CHRM2 (0.49) MEN1KMT2ACYP2C19ALDH1A1KDM4E
SCHEMBL7221812 0.81 NPSR1 (0.47) GAANPSR1MEN1KMT2AHTT
SCHEMBL5938908 0.80 GRIN2B (0.54) GAANPSR1MEN1KMT2AHTT
SCHEMBL7211693 0.78 ALDH1A1 (0.56) GAANPSR1MEN1KMT2AHTT
SCHEMBL7211690 0.78 ALDH1A1 (0.56) GAANPSR1MEN1KMT2AHTT

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