SCHEMBL1737294

SCHEMBL1737294

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(CNc3ccc(F)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 1/20 0.35
MAOB P27338 1/20 0.34
CHRM3 P20309 1/20 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 SCHEMBL1736793 0.99 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1739795 0.89 MAPT (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1735971 0.88 KDM4E (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1737503 0.88 MAPT (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1738005 0.88 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1737615 0.87 CHRM3 (0.41) RAB9AKDM4EPOLBMAPTNR2F2
Hydrochloric Acid SCHEMBL1736912 0.87 KDM4E (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1739799 0.87 MAPT (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3595156 0.87 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1737137 0.87 MAPT (0.37) 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 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