SCHEMBL2492658

SCHEMBL2492658

O=C(OCc1ccccc1)ON1CCC(Nc2cccnc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GRIN2B Q13224 2/20 0.41
PRMT5 O14744 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
NOS2 P35228 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 2/20 0.38
DRD2 P14416 1/20 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
SCHEMBL1285665 0.85 GRIN2B (0.58) POLBGRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL27092763 0.77 KDM4E (0.64) KMT2AMEN1ALDH1A1SIGMAR1KDM4E
SCHEMBL30007165 0.77 KDM4E (0.64) KMT2AMEN1ALDH1A1SIGMAR1KDM4E
SCHEMBL3063816 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL28775699 0.74 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3054430 0.74 NOS2 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4707711 0.74 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL3061153 0.73 NOS2 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL19873872 0.73 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28652231 0.72 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225236-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
EP-2379529-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
EP-2225236-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
WO-2010020628-A1 NOVEL PRODUCTION METHOD FOR L-PIPERIDINE-4-YL-1,3-DIHYDRO-IMIDAZO [4,5-B] PYRIDINE-2-ONE AND MONO- AND DIHYDROCHLORIDES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 WO disclosed
WO-2009065921-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed