SCHEMBL5315853

SCHEMBL5315853

COc1cc(CN(CCN)C(=O)Nc2ccccc2)ccc1OCc1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.57
TSHR P16473 4/20 0.51
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
EGFR P00533 4/20 0.43
ERBB2 P04626 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
ROCK1 Q13464 1/20 0.42
MAPT P10636 1/20 0.42

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 SCHEMBL5315884 0.96 TRPM8 (0.53) TRPM8TSHRPPARAALDH1A1KDM4E
SCHEMBL14464512 0.95 TRPM8 (0.52) TRPM8TSHRPPARAALDH1A1KDM4E
SCHEMBL5315896 0.92 TRPM8 (0.60) TRPM8TSHRALDH1A1RAB9AMEN1
SCHEMBL5316415 0.91 TSHR (0.49) TRPM8TSHRPPARAALDH1A1KDM4E
SCHEMBL14463955 0.90 TRPM8 (0.54) TRPM8TSHRALDH1A1KDM4ERAB9A
SCHEMBL14464531 0.89 TRPM8 (0.53) TRPM8TSHRPPARAALDH1A1KDM4E
SCHEMBL5321993 0.88 TRPM8 (0.67) TRPM8TSHRKDM4ERAB9ANPC1
SCHEMBL5318380 0.88 TRPM8 (0.52) TRPM8ALDH1A1KDM4ERAB9ANPC1
Trifluoroacetic Acid SCHEMBL5320030 0.88 TRPM8 (0.56) TRPM8TSHRALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL5315581 0.88 TRPM8 (0.66) TRPM8TSHRKDM4ERAB9ANPC1

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