SCHEMBL4668786

SCHEMBL4668786

N#Cc1cccc(OCC(=O)NC2CC3CCC(C2)N3Cc2ccc(Cl)cc2)c1.O=C(COc1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.55
ATF4 P18848 2/20 0.47
POLB P06746 1/20 0.46
KCNH2 Q12809 2/20 0.44

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
SCHEMBL4668785 1.00 MCHR1 (0.55) MCHR1ATF4POLBKCNH2
SCHEMBL3869032 0.97 MCHR1 (0.51) MCHR1ATF4POLB
SCHEMBL3869029 0.97 MCHR1 (0.51) MCHR1ATF4POLB
SCHEMBL3872107 0.92 MCHR1 (0.61) MCHR1ATF4POLBKCNH2
SCHEMBL3872106 0.92 MCHR1 (0.61) MCHR1ATF4POLBKCNH2
SCHEMBL3869587 0.84 ATF4 (0.66) ATF4POLB
SCHEMBL3869586 0.84 ATF4 (0.66) ATF4POLB
SCHEMBL3870007 0.79 L3MBTL1 (0.48) MCHR1ATF4
SCHEMBL3870004 0.79 L3MBTL1 (0.48) MCHR1ATF4
SCHEMBL3872069 0.77 EPHX2 (0.60)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP claimed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO claimed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO disclosed