SCHEMBL1729935

SCHEMBL1729935

CN(CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1)CC1OCCO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 4/20 0.45
LTA4H P09960 4/20 0.45
ADRA1A P35348 2/20 0.42
ADRA1B P35368 1/20 0.42
FDPS P14324 1/20 0.38
MCHR2 Q969V1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1728135 0.82 LTA4H (0.51) MCHR1KCNH2LTA4HFDPS
SCHEMBL6081348 0.82 LTA4H (0.51) MCHR1KCNH2LTA4HFDPSSMN1; SMN2
SCHEMBL1728669 0.82 LTA4H (0.68) MCHR1KCNH2LTA4HSMN1; SMN2
SCHEMBL1728748 0.81 MCHR1 (0.66) MCHR1KCNH2LTA4HMEN1KMT2A
SCHEMBL1728610 0.81 KCNH2 (0.57) MCHR1KCNH2LTA4H
SCHEMBL1728580 0.78 LTA4H (0.51) MCHR1KCNH2LTA4HSMN1; SMN2MEN1
SCHEMBL1728662 0.78 MCHR1 (0.47) MCHR1KCNH2LTA4HMEN1KMT2A
SCHEMBL1728641 0.76 GNRHR (0.48) MCHR1KCNH2LTA4H
SCHEMBL1728816 0.74 KDM4E (0.47) MCHR1KCNH2LTA4HSMN1; SMN2
SCHEMBL1727501 0.73 LTA4H (0.45) MCHR1KCNH2LTA4HMCHR2

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