SCHEMBL2420876

SCHEMBL2420876

COc1ccccc1CNC(N)=Nc1nnc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
QPCT Q16769 1/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL2442022 0.87 ROCK2 (0.37) QPCTKMT2AALDH1A1KDM4EGAA
SCHEMBL2447728 0.83 NPSR1 (0.46) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL2379867 0.82 KMT2A (0.44) NPSR1QPCTHPGDKMT2AALDH1A1
SCHEMBL2419463 0.77 KMT2A (0.46) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL2379931 0.77 NPSR1 (0.50) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL2778541 0.76 NPSR1 (0.52) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL2781508 0.74 ADRA2A (0.53) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL2379381 0.74 SMN1; SMN2 (0.54) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL4629816 0.72 POLB (0.51) NPSR1HPGDKMT2AALDH1A1KDM4E
SCHEMBL2781405 0.72 MEN1 (0.46) NPSR1HPGDKMT2AALDH1A1KDM4E

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