SCHEMBL2720360

SCHEMBL2720360

CCCOc1cccc(C(NC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1.CCCOc1cccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 5/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ RAB9A P51151 2/20 0.33

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 0.94 DRD3 (0.42) DRD3DRD2HTR1AKCNH2CYP2D6
SCHEMBL2722066 0.92 DRD3 (0.44) DRD3DRD2HTR1AKCNH2CHRM2
SCHEMBL2720512 0.89 DRD3 (0.42) DRD3DRD2HTR1AKCNH2MAPT
SCHEMBL2720580 0.89 DRD3 (0.41) DRD3DRD2HTR1AMAPK1TP53
SCHEMBL2721839 0.88 DRD3 (0.43) DRD3DRD2HTR1AKCNH2TP53
SCHEMBL900249 0.87 MAPT (0.42) DRD3DRD2KCNH2MAPTTP53
SCHEMBL2720730 0.86 DRD3 (0.41) DRD3DRD2HTR1AKCNH2MAPT
SCHEMBL2721632 0.86 DRD3 (0.42) DRD3DRD2HTR1AKCNH2CYP2D6
SCHEMBL2722101 0.85 DRD3 (0.43) DRD3DRD2HTR1AKCNH2HRH3
SCHEMBL2720427 0.85 DRD3 (0.41) DRD3DRD2HTR1AKCNH2CYP2D6

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 claimed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 — — EP claimed
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