SCHEMBL2720352

SCHEMBL2720352

COc1cccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ HTT P42858 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL2721030 0.91 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL900156 0.91 PDE10A (0.39) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL2721765 0.90 PDE10A (0.42) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL2719885 0.90 HTR2B (0.44) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL2720709 0.90 KCNH2 (0.47) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL900249 0.90 MAPT (0.42) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL2721839 0.89 DRD3 (0.43) ALDH1A1SMN1; SMN2DRD2DRD3KCNH2
SCHEMBL2721011 0.89 PDE10A (0.41) PDE10AHRH4
SCHEMBL2722268 0.88 DRD3 (0.42) ALDH1A1SMN1; SMN2HTTDRD2DRD3
SCHEMBL2720206 0.88 DRD3 (0.39) ALDH1A1SMN1; SMN2HTTDRD2DRD3

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