SCHEMBL1728525

SCHEMBL1728525

O=c1n(-c2ccc(OCCNCCCCc3ccccc3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.59
DRD4 P21917 10/20 0.59
DRD3 P35462 9/20 0.59
GAA P10253 1/20 0.53
S1PR1 P21453 4/20 0.51
S1PR3 Q99500 2/20 0.50
S1PR5 Q9H228 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
BCHE P06276 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL1729079 0.94 GAA (0.62) DRD2DRD4DRD3GAAS1PR1
SCHEMBL6082947 0.92 DRD4 (0.57) DRD2DRD4DRD3GAA
SCHEMBL6080989 0.87 DRD2 (0.50) DRD2DRD4DRD3S1PR1MEN1
SCHEMBL6081354 0.87 DRD2 (0.56) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1728633 0.87 GAA (0.52) DRD2DRD4DRD3GAAMEN1
SCHEMBL1728589 0.86 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1727387 0.84 MEN1 (0.53) DRD2DRD4DRD3GAAMEN1
SCHEMBL1728672 0.82 DRD2 (0.47) DRD2DRD4DRD3GAAMEN1
SCHEMBL1728536 0.82 HTR1B (0.58) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1728578 0.81 KDM4E (0.48) DRD2DRD4DRD3

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-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed