SCHEMBL2422698

SCHEMBL2422698

COc1cccc(OC)c1CNC(N)=Nc1nc(C2CCNCC2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.40
ATP4B P51164 4/20 0.40
HTR2C P28335 4/20 0.37
JUND P17535 1/20 0.36
FOSB P53539 1/20 0.36
ADORA2A P29274 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
F2 P00734 1/20 0.35
ROCK2 O75116 1/20 0.34
ALOX12 P18054 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33

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
Hydrochloric Acid SCHEMBL2381600 0.99 ATP4A (0.40) ATP4AATP4BHTR2CJUNDFOSB
SCHEMBL2380075 0.85 ATP4A (0.40) ATP4AATP4BADORA2AROCK2
Hydrochloric Acid SCHEMBL2378942 0.85 ATP4A (0.39) ATP4AATP4BADORA2AROCK2
SCHEMBL2379370 0.83 TSHR (0.45) ATP4AATP4BCDK1CDK4CCND1
SCHEMBL2380476 0.80 ATP4A (0.51) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2380081 0.80 ATP4A (0.39) ATP4AATP4BADORA2AROCK2
SCHEMBL2379444 0.80 ATP4A (0.44) ATP4AATP4BADORA2AALOX12NPC1
SCHEMBL2380595 0.79 ATP4A (0.53) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2449269 0.79 ATP4A (0.67) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL2422694 0.78 TMIGD3 (0.40) HTR2CJUNDFOSBADORA2AF2

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