SCHEMBL8205693

SCHEMBL8205693

Cc1noc(COC[C@@H](Cc2ccccc2)N(C)C(=O)C(CN(C)C(=O)/C=C/CC(C)(C)N)c2ccc3ccccc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TNIK Q9UKE5 1/20 0.30
MAOB P27338 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
SCHEMBL6322881 0.86 GHSR (0.54) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6322878 0.86 GHSR (0.54) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7131016 0.78 GHSR (0.54) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7131022 0.78 GHSR (0.54) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6401403 0.76 GHSR (0.51) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6401402 0.76 GHSR (0.51) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7059991 0.74 GHSR (0.39) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6324584 0.73 CYP3A4 (0.40) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL6317840 0.73 GHSR (0.38) GHSRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7161809 0.72 GHSR (0.48) GHSR

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
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed