SCHEMBL3655347

SCHEMBL3655347

O=CNC1(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
VNN1 O95497 1/20 0.37
ADORA2A P29274 1/20 0.36
MAPK1 P28482 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KIF11 P52732 1/20 0.34
HSD11B1 P28845 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL6197674 0.81 CHRM2 (0.47) OPRL1MEN1KMT2ACHRM2
SCHEMBL9965971 0.76 GRM4 (0.44) GRM4GRIN1GRIN2AGRIN2BVNN1
Formic Acid SCHEMBL28309437 0.72 OPRM1 (0.41) GRM4OPRM1NPC1RAB9A
SCHEMBL4121266 0.72 GRIN1 (0.42) GRM4GRIN1GRIN2AGRIN2BMAPK1
SCHEMBL24451414 0.71 GRM4 (0.42) GRM4GRIN1GRIN2AGRIN2BVNN1
SCHEMBL12260086 0.71 GRM4 (0.42) GRM4GRIN1GRIN2AGRIN2BVNN1
SCHEMBL9963369 0.71 GRIN1 (0.42) GRM4GRIN1GRIN2AGRIN2BVNN1
SCHEMBL13783763 0.71 OPRM1 (0.43) VNN1OPRM1OPRL1OPRK1MEN1
SCHEMBL3659510 0.70 ADORA2A (0.43) GRM4VNN1ADORA2AMAPK1OPRM1
SCHEMBL29542322 0.70 ADORA2A (0.48) VNN1ADORA2AMAPK1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed