SCHEMBL6991702

SCHEMBL6991702

Cc1ccccc1Nc1nc(C)c(C)c(N2CCc3ccccc3C2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRIN2D O15399 6/20 0.40
GRIN3B O60391 6/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2A Q12879 6/20 0.40

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 SCHEMBL6990935 0.99 CHRM3 (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL6996918 0.87 AXL (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6990621 0.86 AXL (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7000650 0.85 PDE4A (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL7811614 0.84 LMNA (0.54) SMN1; SMN2HTTHPGDPLA2G1BATG4B
Hydrochloric Acid SCHEMBL6962264 0.83 CHRM3 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7821962 0.83 LMNA (0.56) SMN1; SMN2HTTHPGDPLA2G1BATG4B
SCHEMBL7001354 0.83 CCNA2 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6989818 0.82 CCNA2 (0.50) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL6997622 0.81 MEN1 (0.45) 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 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 disclosed