SCHEMBL1737136

SCHEMBL1737136

COc1ccc(-c2nccc3c(C)c(C)n(CC4CC4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
MAT2A P31153 1/20 0.39
SLC34A1 Q06495 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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 SCHEMBL1737748 0.99 GRIN1 (0.41) GRIN1GRIN2BAXLTYRO3MERTK
SCHEMBL1736687 0.95 NPC1 (0.41) GRIN1GRIN2BAXLTYRO3MERTK
Hydrochloric Acid SCHEMBL1736883 0.94 NPC1 (0.41) GRIN1GRIN2BAXLTYRO3MERTK
SCHEMBL1737522 0.88 MAPK14 (0.45) MERTKSLC34A1PDE5APDE4APDE4B
SCHEMBL1738207 0.87 ACHE (0.40) AXLMERTKMAT2APDE3BPDE3A
Hydrochloric Acid SCHEMBL1737777 0.87 MAPK14 (0.44) MERTKSLC34A1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1736379 0.86 ACHE (0.39) AXLMERTKMAT2APDE3BPDE3A
SCHEMBL1737149 0.86 MERTK (0.38) MERTKSLC34A1PDE3BPDE3A
SCHEMBL1737560 0.86 MAPK14 (0.44) MERTKSLC34A1
SCHEMBL1737296 0.85 MERTK (0.38) AXLTYRO3MERTKRAB9A

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 4 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
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed