SCHEMBL4669904

SCHEMBL4669904

O=C(CNc1ccc(Cl)cc1)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1.O=C(CNc1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
CCR2 P41597 1/20 0.48
LTA4H P09960 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CXCR6 O00574 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALPL P05186 2/20 0.45
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BTK Q06187 1/20 0.43

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
SCHEMBL4669902 1.00 MAPT (0.52) MAPTMAPK1CCR2LTA4HMEN1
SCHEMBL3870275 0.98 MAPT (0.51) MAPTMAPK1CCR2LTA4HMEN1
SCHEMBL3870270 0.98 MAPT (0.51) MAPTMAPK1CCR2LTA4HMEN1
SCHEMBL3874225 0.92 MAPT (0.57) MAPTMAPK1LTA4HMEN1KMT2A
SCHEMBL3874227 0.92 MAPT (0.57) MAPTMAPK1LTA4HMEN1KMT2A
SCHEMBL3871796 0.86 MAPT (0.52) MAPTMAPK1CCR2MEN1KMT2A
SCHEMBL3871794 0.86 MAPT (0.52) MAPTMAPK1CCR2MEN1KMT2A
SCHEMBL3872987 0.85 MAPT (0.53) MAPTMAPK1LTA4HMEN1KMT2A
SCHEMBL3880997 0.85 MAPT (0.53) MAPTMAPK1LTA4HMEN1KMT2A
SCHEMBL3872069 0.83 EPHX2 (0.60) MAPTMAPK1MEN1KMT2ACXCR6

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-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