SCHEMBL1736729

SCHEMBL1736729

C=CCn1c(C)c(C)c2cc(C(=O)NCCO)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41
CHRM1 P11229 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 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 SCHEMBL1737499 0.99 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1736727 0.91 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1737059 0.90 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1735889 0.90 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1737886 0.89 CHRM3 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1737141 0.89 MAPK1 (0.40) ALDH1A1MAPTLMNAHTTHPGD
Hydrochloric Acid SCHEMBL1738054 0.89 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1736195 0.88 MAPT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1737063 0.88 MAPK1 (0.40) ALDH1A1MAPTLMNAHTTHPGD
SCHEMBL1736814 0.88 MEN1 (0.41) 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