SCHEMBL5318308

SCHEMBL5318308

NCCN(Cc1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.51
ROCK1 Q13464 3/20 0.48
EGFR P00533 6/20 0.48
ERBB2 P04626 6/20 0.48
PPARA Q07869 1/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ACP1 P24666 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN13 Q12923 1/20 0.45
SSU72 Q9NP77 1/20 0.45
TSHR P16473 1/20 0.44
PTGER1 P34995 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL5318361 0.99 TRPM8 (0.51) TRPM8ROCK1EGFRERBB2PPARA
SCHEMBL5321993 0.88 TRPM8 (0.67) TRPM8ROCK1NPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL5315581 0.87 TRPM8 (0.66) TRPM8ROCK1NPC1RAB9ATSHR
SCHEMBL5122198 0.86 HPGD (0.54) TRPM8ROCK1PPARANPC1RAB9A
SCHEMBL5120927 0.85 TRPM8 (0.47) TRPM8PPARANPC1RAB9AMEN1
SCHEMBL14464542 0.85 TRPM8 (0.71) TRPM8PPARAACP1PTPN12PTPN13
Hydrochloric Acid SCHEMBL5338163 0.84 TRPM8 (0.70) TRPM8PPARAACP1PTPN12PTPN13
SCHEMBL14464513 0.83 TRPM8 (0.61) TRPM8ROCK1RAB9APTPN12TSHR
SCHEMBL14464074 0.83 TRPM8 (0.60) TRPM8NPC1RAB9ATSHRMEN1
SCHEMBL14463942 0.81 TRPM8 (0.73) TRPM8NPC1RAB9ATSHRMEN1

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