SCHEMBL1728672

SCHEMBL1728672

O=c1n(-c2ccc(OCCNCCc3ccccc3Cl)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.47
DRD4 P21917 13/20 0.47
DRD3 P35462 12/20 0.47
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MCHR1 Q99705 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6082947 0.88 DRD4 (0.57) DRD2DRD4DRD3GAA
SCHEMBL1729079 0.85 GAA (0.62) DRD2DRD4DRD3GAATAAR1
SCHEMBL1728525 0.82 DRD2 (0.59) DRD2DRD4DRD3GAATAAR1
SCHEMBL1728589 0.82 DRD2 (0.53) DRD2DRD4DRD3NPC1MEN1
SCHEMBL6081354 0.81 DRD2 (0.56) DRD2DRD4DRD3NPC1MEN1
SCHEMBL1728633 0.81 GAA (0.52) DRD2DRD4DRD3GAATAAR1
SCHEMBL6080989 0.79 DRD2 (0.50) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL1727387 0.78 MEN1 (0.53) DRD2DRD4DRD3GAATAAR1
SCHEMBL1728536 0.78 HTR1B (0.58) DRD2DRD4DRD3MCHR1MEN1
SCHEMBL1728578 0.78 KDM4E (0.48) DRD2DRD4DRD3RAB9A

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