SCHEMBL1737382

SCHEMBL1737382

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.47
GRIN3B O60391 9/20 0.47
GRIN1 Q05586 9/20 0.47
GRIN2A Q12879 9/20 0.47
GRIN2B Q13224 9/20 0.47
GRIN2C Q14957 9/20 0.47
GRIN3A Q8TCU5 9/20 0.47
CHRM1 P11229 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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 SCHEMBL1737177 0.99 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1739572 0.88 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1737544 0.88 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1736805 0.88 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1737984 0.88 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1736120 0.87 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1735877 0.87 MAPT (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1737042 0.87 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1739573 0.86 NUDT1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1736041 0.86 MEN1 (0.40) 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