SCHEMBL5315896

SCHEMBL5315896

COc1cc(CN(CCN)C(=O)Nc2ccccc2)ccc1OCc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.60
TSHR P16473 5/20 0.54
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.44
SCN3A Q9NY46 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
MEN1 O00255 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 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
Trifluoroacetic Acid SCHEMBL5320030 0.96 TRPM8 (0.56) TRPM8TSHRRAB9AKMT2AHTT
SCHEMBL5315853 0.92 TRPM8 (0.57) TRPM8TSHRRAB9AKMT2AGAA
SCHEMBL5318568 0.90 TSHR (0.51) TRPM8TSHRRAB9AKMT2AHTT
SCHEMBL14463942 0.89 TRPM8 (0.73) TRPM8TSHRRAB9AKMT2AMEN1
Trifluoroacetic Acid SCHEMBL5315884 0.88 TRPM8 (0.53) TRPM8TSHRRAB9AKMT2AGAA
SCHEMBL5321993 0.87 TRPM8 (0.67) TRPM8TSHRRAB9AKMT2AMEN1
SCHEMBL14078195 0.87 TRPM8 (0.56) TRPM8TSHRRAB9AKMT2AHTT
Hydrochloric Acid SCHEMBL5315581 0.86 TRPM8 (0.66) TRPM8TSHRRAB9AKMT2AMEN1
SCHEMBL14464512 0.86 TRPM8 (0.52) TRPM8TSHRRAB9AKMT2AGAA
SCHEMBL14464513 0.85 TRPM8 (0.61) TRPM8TSHRRAB9AKMT2AGAA

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
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed