SCHEMBL8273659

SCHEMBL8273659

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

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.84
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
SCHEMBL8273505 0.94 GHSR (0.82) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273504 0.94 GHSR (0.83) GHSR
SCHEMBL8274225 0.93 GHSR (0.72) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273658 0.93 GHSR (0.74) GHSR
SCHEMBL805019 0.91 GHSR (1.00) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL8273695 0.89 GHSR (0.81) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL19248361 0.86 GHSR (0.80) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL12657975 0.85 GHSR (1.00) GHSR
SCHEMBL14011144 0.85 GHSR (1.00) GHSR
SCHEMBL804937 0.85 GHSR (1.00) 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