SCHEMBL1728663

SCHEMBL1728663

CN(CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1)CCc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
PLA2G2A P14555 3/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
GPR18 Q14330 1/20 0.44
BCHE P06276 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR6 P50406 3/20 0.42
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
HTR7 P34969 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
CHRNB4 P30926 1/20 0.42

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
SCHEMBL6081520 0.82 HTR1A (0.59) LTA4HPLA2G2AHTR1AGPR18KCNH2
SCHEMBL1728610 0.82 KCNH2 (0.57) LTA4HKCNH2MCHR1
SCHEMBL6081348 0.80 LTA4H (0.51) LTA4HKCNH2MCHR1SMN1; SMN2
SCHEMBL1728135 0.80 LTA4H (0.51) LTA4HKCNH2MCHR1
SCHEMBL1728641 0.78 GNRHR (0.48) LTA4HNPSR1KCNH2MCHR1
SCHEMBL1728669 0.77 LTA4H (0.68) LTA4HKCNH2MCHR1SMN1; SMN2
SCHEMBL1728748 0.77 MCHR1 (0.66) LTA4HBCHEKCNH2MCHR1KMT2A
SCHEMBL1728580 0.73 LTA4H (0.51) LTA4HKCNH2MCHR1SMN1; SMN2KMT2A
SCHEMBL1729935 0.73 MCHR1 (0.45) LTA4HADRA1AADRA1BKCNH2MCHR1
SCHEMBL30896267 0.72 HTR2A (0.81) HTR1AHTR2AHTR2CHTR2BBCHE

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