SCHEMBL4789735

SCHEMBL4789735

COc1cc(C(=O)[N+](CC(C)=Cc2ccc(F)cc2F)(c2ccccc2)C(C2CCCN2)C(N)C2CCCC2)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.38
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4700612 0.80 ACKR3 (0.48) ACKR3PDE4APDE4BPDE4CPDE4D
SCHEMBL4700267 0.74 ACKR3 (0.47) ACKR3PDE4APDE4BPDE4CPDE4D
SCHEMBL4700265 0.74 ACKR3 (0.47) ACKR3PDE4APDE4BPDE4CPDE4D
SCHEMBL14601239 0.70 ACKR3 (0.57) ACKR3L3MBTL1KDM4EHTT
SCHEMBL5576818 0.70 ACKR3 (0.57) ACKR3L3MBTL1KDM4EHTT
SCHEMBL14624285 0.66 ALDH1A1 (0.49) ACKR3PDE4APDE4BPDE4CPDE4D
SCHEMBL4699933 0.66 ACKR3 (0.51) ACKR3
SCHEMBL4699928 0.66 ACKR3 (0.51) ACKR3
SCHEMBL4699931 0.66 ACKR3 (0.51) ACKR3
SCHEMBL4755000 0.66 ACKR3 (0.51) ACKR3

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-1909575-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES ChemoCentryx Inc (US) 2008-04-16 EP disclosed
WO-2007002842-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed