SCHEMBL8201245

SCHEMBL8201245

IN1CCc2cccnc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
SPR P35270 1/20 0.36
RIPK1 Q13546 2/20 0.35
EED O75530 1/20 0.35
HPGD P15428 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
TIPARP Q7Z3E1 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL13650388 0.85 HDAC6 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19403051 0.82 DPP8 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23396762 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18629964 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8475722 0.78 MAOA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29391241 0.78 MAOA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10360436 0.74 HRH1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22736590 0.74 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11923137 0.74 PNMT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11921168 0.74 KCNQ2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2132174-B1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2012-02-01 EP disclosed
WO-2008107176-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-09-12 WO disclosed