SCHEMBL5314828

SCHEMBL5314828

COCN(C(=O)NCCN(C)C)c1ccc(SC(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
ACKR3 P25106 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTPRZ1 P23471 1/20 0.32
CYP2D6 P10635 1/20 0.31
HTR2C P28335 1/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CCR2 P41597 4/20 0.31
RAF1 P04049 1/20 0.31
TACR1 P25103 1/20 0.31
MAPK1 P28482 1/20 0.31
RAD52 P43351 1/20 0.30
KCNK2 O95069 1/20 0.30
KCNK10 P57789 1/20 0.30

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
SCHEMBL5315841 0.89 ALDH1A1 (0.37) MCHR1ALDH1A1PTPRZ1EPHX2NR1H4
SCHEMBL5314377 0.88 MCHR1 (0.33) MCHR1SMN1; SMN2PTPRZ1EPHX2NR1H4
SCHEMBL5315475 0.85 MCHR1 (0.35) MCHR1ALDH1A1PTPRZ1EPHX2NR1H4
SCHEMBL4149965 0.85 ACKR3 (0.38) MCHR1ACKR3ALDH1A1SMN1; SMN2PTPRZ1
SCHEMBL5314131 0.85 TSHR (0.34) MCHR1ALDH1A1PTPRZ1HTTEPHX2
SCHEMBL5311672 0.84 PTPRZ1 (0.32) MCHR1PTPRZ1EPHX2NR1H4KCNK2
SCHEMBL5314000 0.83 MTNR1A (0.40) ALDH1A1SMN1; SMN2
SCHEMBL5313318 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2PTPRZ1HTTEPHX2
SCHEMBL5312106 0.78 TRPA1 (0.35) MCHR1KCNK2KCNK10
SCHEMBL13774526 0.78 MCHR1 (0.37) MCHR1ALDH1A1SMN1; SMN2PTPRZ1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed