SCHEMBL6551977

SCHEMBL6551977

C=C(C)C(=O)NCCCN(Cc1ccccc1B(O)O)c1ccc2cc3ccccc3cc2c1CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.33
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MTNR1B P49286 7/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL5673485 0.90 OPRM1 (0.33) MTNR1AOPRM1TMEM97SIGMAR1MTNR1B
SCHEMBL1506800 0.79 APP (0.35)
SCHEMBL7269820 0.74 APP (0.35)
SCHEMBL13068305 0.70 GAA (0.36) TMEM97SIGMAR1
SCHEMBL5676655 0.69
SCHEMBL20346322 0.69 APP (0.32)
SCHEMBL20320676 0.68 TMEM97 (0.33) OPRM1TMEM97SIGMAR1
SCHEMBL5673675 0.67 APP (0.33)
SCHEMBL1506799 0.66 KMT2A (0.30)
SCHEMBL20346292 0.66 SLC6A5 (0.37) TMEM97SIGMAR1

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
EP-1388014-A2 DETECTION OF GLUCOSE IN SOLUTIONS Sensors for Medicine and Science, Inc. (US) 2004-02-11 EP claimed
WO-2002057788-A2 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2002-07-25 WO claimed