SCHEMBL4669795

SCHEMBL4669795

CC1(C(=O)NCC(=O)NC2CC3CCC(C2)N3Cc2ccc(Cl)cc2)c2ccccc2Oc2ccccc21.Nc1ccccc1C(=O)NCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CXCR6 O00574 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3877448 0.91 MAPT (0.45) CCR2L3MBTL1MAPTMAPK1CXCR6
SCHEMBL3877452 0.91 MAPT (0.45) CCR2L3MBTL1MAPTMAPK1CXCR6
SCHEMBL3880161 0.87 CCR2 (0.56) CCR2L3MBTL1DRD2MAPTMAPK1
SCHEMBL3880157 0.87 CCR2 (0.56) CCR2L3MBTL1DRD2MAPTMAPK1
SCHEMBL3877519 0.82 MAPT (0.47) CCR2L3MBTL1MAPTMAPK1CXCR6
SCHEMBL3877523 0.82 MAPT (0.47) CCR2L3MBTL1MAPTMAPK1CXCR6
SCHEMBL3869186 0.80 CCR2 (0.69) CCR2CXCR6
SCHEMBL4182888 0.80 CCR2 (0.69) CCR2CXCR6
SCHEMBL3869575 0.77 L3MBTL1 (0.53) CCR2L3MBTL1MAPTMAPK1CXCR6
SCHEMBL3869568 0.77 L3MBTL1 (0.53) CCR2L3MBTL1MAPTMAPK1CXCR6

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