SCHEMBL6995040

SCHEMBL6995040

CCc1cc(N2CCc3ccccc3C2)nc(Nc2ccccc2C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 14/20 0.58
GRIN3B O60391 14/20 0.58
GRIN1 Q05586 14/20 0.58
GRIN2A Q12879 14/20 0.58
GRIN2B Q13224 14/20 0.58
GRIN2C Q14957 14/20 0.58
GRIN3A Q8TCU5 14/20 0.58
CHRM1 P11229 8/20 0.58
ADRA1D P25100 8/20 0.58
ADRA1A P35348 8/20 0.58
ADRA1B P35368 8/20 0.58
NUDT1 P36639 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM6B O15054 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Hydrochloric Acid SCHEMBL6992603 0.99 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6990652 0.89 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6990065 0.88 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6997499 0.85 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6993523 0.82 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6997010 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8569634 0.80 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6996011 0.79 ALDH1A1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6990071 0.79 ALDH1A1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7000650 0.77 PDE4A (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed