SCHEMBL2443764

SCHEMBL2443764

COc1cccc(OC)c1CN=C(N)Nc1nc(-c2cc(Cl)ccc2Cl)cs1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 14/20 0.60
ATP4B P51164 14/20 0.60
PKM P14618 1/20 0.57
RORC P51449 4/20 0.50

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 SCHEMBL2382158 0.99 ATP4A (0.61) ATP4AATP4BPKMRORC
SCHEMBL2380575 0.89 ATP4A (0.69) ATP4AATP4B
SCHEMBL2443336 0.86 ATP4A (0.62) ATP4AATP4BRORC
SCHEMBL2379298 0.86 ATP4A (0.59) ATP4AATP4B
SCHEMBL2381601 0.86 ATP4A (0.59) ATP4AATP4B
Bromide SCHEMBL2380483 0.85 ATP4A (0.63) ATP4AATP4B
SCHEMBL2379807 0.85 ATP4A (0.59) ATP4AATP4BRORC
SCHEMBL2379141 0.84 ATP4A (0.56) ATP4AATP4B
SCHEMBL2419017 0.83 ATP4A (0.56) ATP4AATP4B
SCHEMBL2380494 0.83 ATP4A (0.53) ATP4AATP4B

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 3 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