SCHEMBL2448847

SCHEMBL2448847

COc1ccccc1CNC(=N)Nc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
QPCT Q16769 1/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.41
KDM1A O60341 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RCOR1 Q9UKL0 1/20 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
Acetic Acid SCHEMBL2382860 0.94 POLB (0.47) POLBNPSR1HPGDKMT2AMEN1
SCHEMBL2449301 0.86 ROCK2 (0.40)
Acetic Acid SCHEMBL2381502 0.81 ROCK2 (0.41) ALDH1A1HTTGAA
SCHEMBL2778538 0.81 POLB (0.50) POLBNPSR1HPGDKMT2AMEN1
SCHEMBL2420870 0.81 QPCT (0.44) NPSR1QPCTHPGDKMT2AMEN1
SCHEMBL1848615 0.80 HSD17B10 (0.58) NPSR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2447099 0.79 NPC1 (0.62) POLBNPSR1KMT2AMEN1NPC1
SCHEMBL2781504 0.79 NPC1 (0.52) POLBNPSR1HPGDKMT2AMEN1
SCHEMBL2447724 0.78 SMN1; SMN2 (0.44) POLBNPSR1HPGDKMT2AMEN1
SCHEMBL2379930 0.78 NPSR1 (0.47) NPSR1HPGDKMT2AMEN1NPC1

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