SCHEMBL2720512

SCHEMBL2720512

CCCCOc1cccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ ATP4A P20648 2/20 0.38
▸ ATP4B P51164 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ CYSLTR2 Q9NS75 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
SCHEMBL2720580 0.97 DRD3 (0.41) DRD3DRD2ATP4AATP4BALDH1A1
SCHEMBL2722268 0.96 DRD3 (0.42) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2721839 0.93 DRD3 (0.43) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL900249 0.92 MAPT (0.42) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2720730 0.91 DRD3 (0.41) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2720626 0.91 DRD3 (0.41) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2720427 0.91 DRD3 (0.41) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2721632 0.91 DRD3 (0.42) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2722101 0.90 DRD3 (0.43) DRD3DRD2KCNH2ALDH1A1MEN1
SCHEMBL2719712 0.90 DRD3 (0.40) DRD3DRD2KCNH2ALDH1A1MEN1

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
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 — — US disclosed
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 — — EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 — — US disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 — — EP disclosed
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