SCHEMBL9601979

SCHEMBL9601979

NC1=CN=CNC1(N)Cc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MGMT P16455 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29452029 0.69 MAOA (0.50) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL7915833 0.69 MAOA (0.50) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL9601976 0.68 HRH1 (0.38) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL20069016 0.66 SLC6A4 (0.44) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL28503979 0.66 HRH1 (0.39) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL28270390 0.65 HRH1 (0.44) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL31617176 0.62 HRH1 (0.38) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL3984812 0.62 MAOA (0.38) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL3984810 0.62 L3MBTL1 (0.40) HRH1L3MBTL1LMNAMAOAMAOB
SCHEMBL21940865 0.61 HRH4 (0.41) HRH1LMNAHRH3HRH4

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-0206415-B1 (4-PIPERIDINYLMETHYL AND -HETERO)PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-27 EP disclosed