SCHEMBL900249

SCHEMBL900249

CCOc1cccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.42
▸ DRD3 P35462 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ FPR1 P21462 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 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
SCHEMBL2722268 0.93 DRD3 (0.42) MAPTPOLBPDE10ADRD3DRD2
SCHEMBL2720730 0.92 DRD3 (0.41) MAPTPOLBPDE10ADRD3DRD2
SCHEMBL2720512 0.92 DRD3 (0.42) MAPTPOLBPDE10ADRD3DRD2
SCHEMBL2721839 0.92 DRD3 (0.43) DRD3DRD2MEN1KMT2AKCNH2
SCHEMBL2720580 0.91 DRD3 (0.41) DRD3DRD2MEN1KMT2ASMN1; SMN2
SCHEMBL2720206 0.91 DRD3 (0.39) MAPTPOLBPDE10ADRD3DRD2
SCHEMBL2719981 0.90 PRMT5 (0.41) DRD3DRD2HTTKCNH2SMN1; SMN2
SCHEMBL2721632 0.90 DRD3 (0.42) PDE10ADRD3DRD2HTTMEN1
SCHEMBL2720352 0.90 ALDH1A1 (0.44) POLBPDE10ADRD3DRD2HTT
SCHEMBL2720015 0.89 DRD3 (0.38) PDE10ADRD3DRD2HTTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 — — EP disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 — — EP disclosed
Send feedback