SCHEMBL2720626

SCHEMBL2720626

CC(C)CCCOc1cccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL2722101 0.96 DRD3 (0.43) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2720512 0.91 DRD3 (0.42) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2721839 0.91 DRD3 (0.43) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2720580 0.91 DRD3 (0.41) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2722268 0.91 DRD3 (0.42) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2720206 0.91 DRD3 (0.39) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2720427 0.90 DRD3 (0.41) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL2721632 0.90 DRD3 (0.42) DRD3DRD2HTR1AHTR7MEN1
SCHEMBL900249 0.89 MAPT (0.42) DRD3DRD2MEN1KMT2AALDH1A1
SCHEMBL2720270 0.88 DRD3 (0.40) DRD3DRD2HTR1AHTR7MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 — — EP disclosed
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
Send feedback