SCHEMBL8273695

SCHEMBL8273695

CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CN(C)C1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.81
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65

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
SCHEMBL8272433 0.93 GHSR (0.70) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273657 0.90 GHSR (0.66) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL11983042 0.90 GHSR (1.00) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL14311427 0.90 GHSR (1.00) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL804934 0.90 GHSR (1.00) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273659 0.89 GHSR (0.84) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273505 0.89 GHSR (0.82) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8274282 0.89 GHSR (0.64) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13627184 0.86 GHSR (0.82) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273593 0.85 GHSR (0.60) 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
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed