SCHEMBL1735917

SCHEMBL1735917

Cc1c(C)n(Cc2ccncc2)c2c(N3CCc4ccccc4C3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.44
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
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42

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 SCHEMBL1736145 0.99 EED (0.43) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1736986 0.94 ALDH1A1 (0.48) EEDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1737622 0.93 ALDH1A1 (0.47) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1737674 0.92 GRIN2D (0.47) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1739791 0.91 GRIN2D (0.42) EEDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1738882 0.91 GRIN2D (0.46) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1736287 0.90 GRIN2D (0.41) EEDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1737969 0.90 GRIN2D (0.41) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1737232 0.89 MDM2 (0.41) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1737604 0.89 GRIN2D (0.43) EEDGRIN2DGRIN3BGRIN1GRIN2A

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