SCHEMBL3783683

SCHEMBL3783683

O=C(Nc1ccccn1)c1ccc(N2CCc3ccccc3C2)nc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.55
GRIN3B O60391 5/20 0.55
GRIN1 Q05586 5/20 0.55
GRIN2A Q12879 5/20 0.55
GRIN2B Q13224 5/20 0.55
GRIN2C Q14957 5/20 0.55
GRIN3A Q8TCU5 5/20 0.55
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
NAMPT P43490 1/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CHRNA7 P36544 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3788726 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3792077 0.86 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3784066 0.86 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3787443 0.86 KMT2A (0.48) NPC1RAB9ACHRNA7CHRNA10CHRNA9
SCHEMBL3782560 0.85 KMT2A (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3793530 0.85 PTPN11 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13203909 0.83 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2865126 0.83 RAB9A (0.60) NPC1RAB9ACHRNA7CHRNA10CHRNA9
SCHEMBL3786612 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3786650 0.82 TAAR1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO claimed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed