SCHEMBL2448829

SCHEMBL2448829

COc1cccc(OC)c1CNC(N)=Nc1nc(-c2ncccn2)cs1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 13/20 0.48
ATP4B P51164 13/20 0.48
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PLAU P00749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA2A P29274 1/20 0.35

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
Bromide SCHEMBL2379350 0.99 ATP4A (0.49) ATP4AATP4BCYP19A1NPC1MAPT
SCHEMBL2381362 0.94 ATP4A (0.45) ATP4AATP4BCYP19A1NPC1MAPT
SCHEMBL2378921 0.93 ATP4A (0.44) ATP4AATP4BCYP19A1NPC1MAPT
SCHEMBL2379678 0.90 ATP4A (0.49) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2380476 0.88 ATP4A (0.51) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2379700 0.87 ATP4A (0.48) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2449269 0.86 ATP4A (0.67) ATP4AATP4BCYP19A1NPC1MAPT
SCHEMBL2380595 0.86 ATP4A (0.53) ATP4AATP4BNPC1MAPTRAB9A
Bromide SCHEMBL2379078 0.85 ATP4A (0.68) ATP4AATP4BCYP19A1NPC1MAPT
SCHEMBL2379117 0.84 ATP4A (0.61) ATP4AATP4BNPC1MAPTRAB9A

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 5 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-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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed