SCHEMBL4662204

SCHEMBL4662204

CC(C)COC(=O)N1CCC(Oc2ccc(I)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.47
KMT2A Q03164 2/20 0.45
NAMPT P43490 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL4620879 0.88 GPR119 (0.47) GPR119KMT2ANAMPTCHRM2CHRM1
SCHEMBL7390760 0.84 LIPE (0.55) GPR119KMT2APOLBMMP13
SCHEMBL7396050 0.83 KMT2A (0.50) GPR119KMT2A
SCHEMBL2556948 0.81 GPR119 (0.69) GPR119CHRM2CHRM1
SCHEMBL2556476 0.81 GPR119 (0.69) GPR119CHRM2CHRM1
SCHEMBL3399260 0.79 GPR119 (0.47) GPR119KMT2AHRH3
SCHEMBL3914633 0.79 MLNR (0.49) GPR119KMT2AHRH3
SCHEMBL24596887 0.78 CYP4F2 (0.51) GPR119KMT2ANAMPTHRH3
SCHEMBL2116540 0.78 GPR119 (0.65) GPR119HRH3
SCHEMBL5273710 0.78 SMN1; SMN2 (0.50) GPR119KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
EP-1610786-A1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089373-A1 4- (4-(HETEROCYCLYLALKOXY}PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER’S GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed