SCHEMBL1729175

SCHEMBL1729175

O=c1n(-c2ccc(OCCN3CCc4ccccc4C3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL7253798 0.82 L3MBTL1 (0.71) HTR5AMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1728674 0.81 ALDH1A1 (0.60) MEN1KMT2AL3MBTL1KDM4EDRD2
SCHEMBL1728438 0.81 LTA4H (0.56) HRH1LTA4HMCHR1MCHR2KCNH2
SCHEMBL6083117 0.81 DRD2 (0.59) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL6081563 0.80 LTA4H (0.55) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL1728503 0.79 LTA4H (0.54) KDM4ELTA4HMCHR1MCHR2KCNH2
SCHEMBL1728498 0.79 LTA4H (0.51) KDM4EHRH1LTA4HMCHR1MCHR2
SCHEMBL1729170 0.79 LTA4H (0.51) HRH1LTA4HMCHR1MCHR2MAOA
SCHEMBL1728694 0.79 KDM4E (0.56) KMT2AKDM4ELTA4HMCHR1MCHR2
SCHEMBL6081461 0.77 HRH3 (0.52) LTA4HMCHR1MCHR2KCNH2HRH3

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