SCHEMBL2425173

SCHEMBL2425173

COc1cccc(OC)c1CNC(=N)Nc1nc(C2CCCN2C(=O)O)cs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CPT1A P50416 5/20 0.38
KCNQ1 P51787 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPT2 P23786 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 2/20 0.37
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36

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
SCHEMBL2380231 0.94 TRPV1 (0.43) TRPV1MEN1KMT2ALMNAKDM4E
SCHEMBL2380382 0.90 TRPV1 (0.41) TRPV1MEN1KMT2ALMNAKDM4E
SCHEMBL2380071 0.88 TRPV1 (0.38) TRPV1LMNAKDM4EHTTKCNQ1
SCHEMBL2378852 0.85 TRPV1 (0.36) TRPV1MEN1KMT2ALMNAKDM4E
SCHEMBL2382160 0.85 KMT2A (0.40) TRPV1MEN1KMT2ALMNAKDM4E
SCHEMBL2379890 0.84 LMNA (0.53) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL2419874 0.84 TMIGD3 (0.41) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL2379691 0.81 RORC (0.43) KCNQ1SMN1; SMN2ROCK2ROCK1
SCHEMBL2379130 0.79 TMIGD3 (0.42) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL2380068 0.78 PDCD1LG2 (0.37) MEN1KMT2AROCK2ROCK1

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 6 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
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