SCHEMBL2447728

SCHEMBL2447728

COc1ccccc1CNC(N)=Nc1nnc(C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RCE1 Q9Y256 1/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2379540 0.86 ROCK2 (0.38) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL2420876 0.83 NPSR1 (0.44) NPSR1HPGDLMNAALDH1A1MAPT
SCHEMBL2383720 0.81 MEN1 (0.46) NPSR1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL2379931 0.79 NPSR1 (0.50) NPSR1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL2379381 0.78 SMN1; SMN2 (0.54) NPSR1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL2778541 0.78 NPSR1 (0.52) NPSR1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL2419463 0.77 KMT2A (0.46) NPSR1HPGDLMNAALDH1A1KDM4E
SCHEMBL2781405 0.77 MEN1 (0.46) NPSR1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL2781508 0.76 ADRA2A (0.53) NPSR1HPGDALDH1A1MAPTGAA
SCHEMBL2782595 0.76 PLAU (0.49) NPSR1HPGDALDH1A1MAPTGAA

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-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed