SCHEMBL2319618

SCHEMBL2319618

COCCn1c(C)c(C)c2c(N3CCc4ccccc4C3)nccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
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
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
PTK2B Q14289 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
EED O75530 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 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 SCHEMBL441239 0.99 HPGD (0.45) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL2314538 0.90 GRIN2D (0.41) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL2314795 0.89 GRIN2D (0.44) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL2317681 0.89 HPGD (0.43) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL441193 0.89 GRIN2D (0.41) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL439292 0.88 GRIN2D (0.44) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL2313850 0.88 GRIN2D (0.45) HPGDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL439416 0.88 HPGD (0.43) HPGDL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL2319556 0.87 GRIN2D (0.44) HPGDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL439412 0.87 GRIN2D (0.44) HPGDGRIN2DGRIN3BGRIN1GRIN2A

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-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed