SCHEMBL13804315

SCHEMBL13804315

CCN1CC[C@@H](c2nn[nH]n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
HSD11B1 P28845 2/20 0.36
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
PEPD P12955 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGDR Q13258 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
GRIN2D O15399 1/20 0.31

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
SCHEMBL13804280 1.00 LTA4H (0.43) LTA4HHSD11B1GRIK1GRIA1GRIA2
SCHEMBL13804311 0.90 HSD11B1 (0.41) LTA4HHSD11B1PEPDXPNPEP1PTGDR
SCHEMBL13804284 0.90 HSD11B1 (0.41) LTA4HHSD11B1PEPDXPNPEP1PTGDR
SCHEMBL15998448 0.90 HSD11B1 (0.41) LTA4HHSD11B1PEPDXPNPEP1PTGDR
SCHEMBL13804294 0.79 LTA4H (0.40) LTA4HHSD11B1GRIK1GRIA1GRIA2
SCHEMBL12258702 0.75 KDM5A (0.36) LTA4HHSD11B1GRIK1GRIA1GRIA2
SCHEMBL12258733 0.75 KDM5A (0.36) LTA4HHSD11B1GRIK1GRIA1GRIA2
SCHEMBL13783323 0.75 LTA4H (0.44) LTA4HHSD11B1GRIK1GRIA1GRIA2
SCHEMBL13938027 0.74 S1PR1 (0.54) LTA4HHRH3
SCHEMBL9911081 0.73 HSD11B1 (0.43) LTA4HHSD11B1GRIK1GRIA1GRIA2

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-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 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