SCHEMBL6143574

SCHEMBL6143574

CC(C)(C)OC(=O)NCCN1CCc2cc(OCCCC3CCCNC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.44
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CTSS P25774 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38

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
SCHEMBL6143471 0.82 GPR119 (0.50) GPR119ITGB3ITGA2B
SCHEMBL6109275 0.81 HRH3 (0.56) HRH3
SCHEMBL6143807 0.80 GPR119 (0.49) GPR119ITGB3ITGA2BHRH3
SCHEMBL6143554 0.77 CA12 (0.38) GPR119CA12CA1CA2CA9
SCHEMBL6143897 0.75 GPR119 (0.47) GPR119ITGB3ITGA2BHRH3
SCHEMBL15358145 0.74 TDP1 (0.46) HRH3CA12CA1CA2CA9
SCHEMBL6632127 0.72 ITGB3 (0.61) ITGB3ITGA2BHRH3
SCHEMBL1009654 0.71 EPHX1 (0.47) CTSS
SCHEMBL2386412 0.71 EPHX1 (0.47) CTSS
SCHEMBL6143785 0.69 GPR119 (0.39) GPR119ITGB3ITGA2B

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-1585731-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004026837-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed