SCHEMBL5217684

SCHEMBL5217684

CC(C)COC(=O)N1CCC(CC2CCNCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
TPSAB1 Q15661 5/20 0.42
TPSD1 Q9BZJ3 5/20 0.42
TPSG1 Q9NRR2 5/20 0.42
PLAU P00749 1/20 0.42
PRSS1 P07477 1/20 0.42
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
GAA P10253 1/20 0.38
F2R P25116 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL5226008 0.85 RAB9A (0.44) RAB9AGNAI3GNAO1GNAI1GAA
SCHEMBL5219039 0.84 RAB9A (0.43) RAB9AGAAGPR119JAK2JAK1
SCHEMBL1693216 0.83 RAB9A (0.48) RAB9AGAAGPR119JAK2JAK1
SCHEMBL5221871 0.83 RAB9A (0.43) RAB9AGAAGPR119NOS3NOS2
SCHEMBL5221770 0.82 RAB9A (0.42) RAB9AGAAGPR119NOS3NOS2
SCHEMBL112264 0.81 RAB9A (0.44) RAB9AKIT
SCHEMBL5225927 0.81 CHRM1 (0.46) RAB9AGAACHRM2CHRM1THRB
SCHEMBL10089204 0.80 RAB9A (0.48) RAB9AGAAGPR119NOS3NOS2
SCHEMBL4977215 0.80 RAB9A (0.48) RAB9AGAAGPR119JAK2JAK1
SCHEMBL2894884 0.79 TPSAB1 (0.47) RAB9ATPSAB1TPSD1TPSG1GAA

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-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 WO disclosed