SCHEMBL1737459

SCHEMBL1737459

CCn1c(C)c(C)c2cc(CN3CCN(C)CC3)nc(N3CCc4ccccc4C3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 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 SCHEMBL1737179 0.99 MEN1 (0.39) MEN1KMT2AHRH4GRIN2DGRIN3B
SCHEMBL1738557 0.93 PDE4A (0.39) MEN1KMT2AHRH4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1737699 0.93 PDE4A (0.39) MEN1KMT2AHRH4GRIN2DGRIN3B
SCHEMBL1737620 0.91 MC4R (0.40) HRH4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1737914 0.90 MC4R (0.39) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1737985 0.89 HRH4 (0.37) MEN1KMT2AHRH4GRIN2DGRIN3B
SCHEMBL1737419 0.89 HRH4 (0.37) MEN1KMT2AHRH4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1737180 0.88 HRH4 (0.37) MEN1KMT2AHRH4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1736541 0.88 HRH4 (0.37) MEN1KMT2AHRH4GRIN2DGRIN3B
SCHEMBL1738714 0.87 PRMT5 (0.40) MEN1KMT2AHRH4GRIN2DGRIN3B

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