SCHEMBL27720161

SCHEMBL27720161

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)cc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
MAPK14 Q16539 1/20 0.51
EPHX2 P34913 5/20 0.51
EGFR P00533 3/20 0.50
KDR P35968 2/20 0.50
HRH3 Q9Y5N1 3/20 0.48
SRC P12931 1/20 0.48
HTR2C P28335 1/20 0.46
CSF1R P07333 2/20 0.46
MET P08581 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL27720109 0.96 MAPK14 (0.52) HTR2AHTR1ADRD2MAPK14EPHX2
SCHEMBL27740985 0.92 EPHX2 (0.62) HTR2AMAPK14EPHX2EGFRKDR
SCHEMBL27741147 0.88 EPHX2 (0.56) HTR2AMAPK14EPHX2KDRHTR2C
SCHEMBL27740980 0.83 MAPK14 (0.56) MAPK14EPHX2KDRSRCMET
SCHEMBL27720139 0.83 ALDH1A1 (0.52) HTR2AHTR1ADRD2MAPK14EPHX2
SCHEMBL27720113 0.80 BRAF (0.48) HTR2AHTR1AMAPK14EPHX2EGFR
SCHEMBL27740978 0.80 PNLIP (0.51) HTR2AHTR1AMAPK14EPHX2EGFR
SCHEMBL27720157 0.79 MAPT (0.64) HTR2AHTR1AMAPK14EPHX2EGFR
SCHEMBL27740975 0.78 RAB9A (0.50) MAPK14EPHX2KDRSRCMET
SCHEMBL27720100 0.76 BRAF (0.63) HTR2AHTR1AMAPK14EPHX2EGFR

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
CN-101298427-B Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 CN disclosed
CN-101298427-A Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH (CN) 2008-11-05 CN disclosed