SCHEMBL1739795

SCHEMBL1739795

CCNCc1cc2c(C)c(C)n(Cc3cccc(F)c3)c2c(N2CCc3ccccc3C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPK1 P28482 3/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
NR2F2 P24468 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CHRM3 P20309 1/20 0.35
GRIN2D O15399 3/20 0.34
GRIN3B O60391 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2B Q13224 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN3A Q8TCU5 3/20 0.34
HTT P42858 3/20 0.34
TSHR P16473 3/20 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
Hydrochloric Acid SCHEMBL1737503 0.99 MAPT (0.35) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1736363 0.91 GRIN2D (0.35) MAPTKDM4EMAPK1RAB9APOLB
Hydrochloric Acid SCHEMBL1737669 0.91 GRIN2D (0.34) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1737101 0.90 MEN1 (0.42) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1735971 0.89 KDM4E (0.37) MAPTKDM4EMAPK1RAB9APOLB
Hydrochloric Acid SCHEMBL1737050 0.89 MEN1 (0.41) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1738005 0.89 MAPT (0.38) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1737294 0.89 GRIN2D (0.37) MAPTKDM4EMAPK1RAB9APOLB
Hydrochloric Acid SCHEMBL1736912 0.89 KDM4E (0.36) MAPTKDM4EMAPK1RAB9APOLB
SCHEMBL1737615 0.89 CHRM3 (0.41) MAPTKDM4EMAPK1RAB9APOLB

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