SCHEMBL3672285

SCHEMBL3672285

O=C(NCC1CCOCC1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
NAMPT P43490 2/20 0.52
GRM4 Q14833 6/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.49

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
SCHEMBL1507146 0.90 POLB (0.64) POLBMAPTCNR1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL30951167 0.88 POLB (0.63) POLBMAPTCNR1SMN1; SMN2KMT2A
SCHEMBL4968777 0.87 POLB (0.65) POLBMAPTCNR1CNR2SMN1; SMN2
SCHEMBL25199297 0.83 POLB (0.57) POLBMAPTSMN1; SMN2KMT2A
SCHEMBL8597991 0.82 MAPT (0.56) POLBMAPTCNR1SMN1; SMN2KMT2A
SCHEMBL3668332 0.82 POLB (0.87) POLBMAPTSMN1; SMN2KMT2A
SCHEMBL30880731 0.81 NAMPT (0.50) MAPTNAMPTSMN1; SMN2KMT2A
SCHEMBL31165986 0.80 MAPT (0.56) POLBMAPTSMN1; SMN2KMT2A
SCHEMBL18230251 0.80 GRM4 (0.47) POLBMAPTGRM4
SCHEMBL26451554 0.79 POLB (0.53) POLBMAPTCNR1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed
EP-2627649-A1 CXCR4 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-21 EP disclosed
WO-2012049277-A1 CXCR4 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-19 WO disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed