SCHEMBL1728633

SCHEMBL1728633

O=c1n(-c2ccc(OCCNCCc3ccncc3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TAAR1 Q96RJ0 1/20 0.46
DRD2 P14416 9/20 0.45
DRD4 P21917 9/20 0.45
DRD3 P35462 9/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FES P07332 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
LTA4H P09960 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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 0.92 GAA (0.62) GAATAAR1DRD2DRD4DRD3
SCHEMBL6082947 0.88 DRD4 (0.57) GAADRD2DRD4DRD3LTA4H
SCHEMBL1728525 0.87 DRD2 (0.59) GAATAAR1DRD2DRD4DRD3
SCHEMBL1727387 0.82 MEN1 (0.53) GAATAAR1DRD2DRD4DRD3
SCHEMBL1728589 0.82 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6081354 0.81 DRD2 (0.56) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1728672 0.81 DRD2 (0.47) GAATAAR1DRD2DRD4DRD3
SCHEMBL6080989 0.79 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1728536 0.78 HTR1B (0.58) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1728578 0.78 KDM4E (0.48) DRD2DRD4DRD3ADRB2ADRB1

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