SCHEMBL8275652

SCHEMBL8275652

CN1CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccc(F)cc2OCCNCC1=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL8272403 0.89 GHSR (0.68) GHSR
SCHEMBL9882946 0.89 GHSR (0.67) GHSRCYP3A4CYP2D6
SCHEMBL8273655 0.85 GHSR (0.71) GHSRCYP3A4CYP2D6
SCHEMBL8273594 0.84 GHSR (0.56) GHSRCYP3A4CYP2D6
SCHEMBL9882978 0.82 GHSR (0.61) GHSRCYP3A4CYP2D6
SCHEMBL8274335 0.81 GHSR (0.53) GHSR
SCHEMBL8273629 0.80 GHSR (0.75) GHSRCYP3A4CYP2D6
SCHEMBL8273596 0.79 GHSR (0.75) GHSR
SCHEMBL8273597 0.79 GHSR (0.62) GHSRCYP3A4CYP2D6
SCHEMBL13554453 0.78 GHSR (0.63) GHSRCYP3A4CYP2D6

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
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed