SCHEMBL1739573

SCHEMBL1739573

C=CCn1c(C)c(C)c2cc(NC)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRIN2D O15399 6/20 0.38
GRIN3B O60391 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2B Q13224 6/20 0.38
GRIN2C Q14957 6/20 0.38
GRIN3A Q8TCU5 6/20 0.38
CHRM1 P11229 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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 SCHEMBL1736122 0.99 NUDT1 (0.44) NUDT1CHRM3PDE4APDE4BPDE4C
SCHEMBL1737544 0.86 MAPT (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1736805 0.86 MAPT (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1737382 0.86 GRIN2D (0.47) NUDT1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1737177 0.85 GRIN2D (0.46) NUDT1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1735877 0.85 MAPT (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1739572 0.85 GRIN2D (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1736727 0.84 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1736120 0.84 GRIN2D (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1737162 0.84 MAPT (0.40) CHRM3PDE4APDE4BPDE4CPDE4D

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed