SCHEMBL8207978

SCHEMBL8207978

CC(C)(C)OC(=O)N1C2CCC1CC(O)(c1cccnc1Cl)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KCNK3 O14649 8/20 0.45
KCNK9 Q9NPC2 8/20 0.45
GPR119 Q8TDV5 8/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD11B1 P28845 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
SCHEMBL14947619 0.85 GPR119 (0.46) POLBKCNK3KCNK9GPR119CHRM2
SCHEMBL2592119 0.83 CHRM2 (0.48) KCNK3KCNK9GPR119CHRM2CHRM1
SCHEMBL2583990 0.83 GPR119 (0.48) POLBKCNK3KCNK9GPR119CHRM2
SCHEMBL2587471 0.81 GPR119 (0.46) KCNK3KCNK9GPR119CHRM2CHRM1
SCHEMBL2587863 0.81 GPR119 (0.48) POLBKCNK3KCNK9GPR119CHRM2
SCHEMBL2586854 0.80 GPR119 (0.42) KCNK3KCNK9GPR119CHRM2CHRM1
SCHEMBL2591601 0.79 OPRM1 (0.49) KCNK3KCNK9GPR119CHRM2CHRM1
SCHEMBL6500038 0.78 GAA (0.61) GPR119CHRM2CHRM1CHRM3
SCHEMBL6500041 0.78 GAA (0.61) GPR119CHRM2CHRM1CHRM3
SCHEMBL2590190 0.78 CHRM2 (0.45) KCNK3KCNK9GPR119CHRM2CHRM1

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-0971918-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 2000-01-19 EP disclosed
WO-1998046600-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1998-10-22 WO disclosed