SCHEMBL6991703

SCHEMBL6991703

Cc1nc(N(C)c2ccccc2)nc(N2CCc3ccccc3C2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GRIN2D O15399 8/20 0.43
GRIN3B O60391 8/20 0.43
GRIN1 Q05586 8/20 0.43
GRIN2A Q12879 8/20 0.43
GRIN2B Q13224 8/20 0.43
GRIN2C Q14957 8/20 0.43
GRIN3A Q8TCU5 8/20 0.43
CHRM1 P11229 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
NPY5R Q15761 1/20 0.42
EED O75530 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 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 SCHEMBL6990940 0.99 CHRM3 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7000652 0.85 PDE4A (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7821963 0.82 GBA1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6995925 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6991158 0.78 L3MBTL1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL8573962 0.77 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6997501 0.77 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6990610 0.77 L3MBTL1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL6999560 0.77 L3MBTL1 (0.36) NPC1RAB9A
Hydrochloric Acid SCHEMBL6990607 0.77 L3MBTL1 (0.36) NPC1RAB9A

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