SCHEMBL2445321

SCHEMBL2445321

COc1cccc(OC)c1CNC(N)=Nc1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 10/20 0.43
ATP4B P51164 10/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
GFER P55789 1/20 0.39
MAOA P21397 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38

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 SCHEMBL2381303 0.99 ATP4A (0.44) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2442530 0.93 MAPT (0.47) ATP4AATP4BMAPTNPC1RAB9A
Bromide SCHEMBL2378128 0.92 MAPT (0.46) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2382010 0.86 ATP4A (0.55) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2379117 0.86 ATP4A (0.61) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2381316 0.86 NPC1 (0.55) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2380595 0.85 ATP4A (0.53) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2379700 0.85 ATP4A (0.48) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2380515 0.83 ATP4A (0.47) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2425828 0.83 ATP4A (0.57) ATP4AATP4BMAPTNPC1RAB9A

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