SCHEMBL8273637

SCHEMBL8273637

CCC[C@@H]1NCCOc2cc(Cl)ccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.75
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62

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
SCHEMBL8273514 0.96 GHSR (0.71) GHSRCYP3A4CYP2D6
SCHEMBL8272435 0.94 GHSR (0.72) GHSRCYP3A4CYP2D6
SCHEMBL8273381 0.92 GHSR (0.88) GHSR
SCHEMBL8272402 0.89 GHSR (0.78) GHSRCYP3A4CYP2D6
SCHEMBL8273656 0.89 GHSR (0.74) GHSRCYP3A4CYP2D6
SCHEMBL8273596 0.89 GHSR (0.75) GHSR
SCHEMBL804849 0.88 GHSR (0.86) GHSRCYP3A4CYP2D6
SCHEMBL8272399 0.86 GHSR (0.83) GHSR
SCHEMBL13612877 0.86 GHSR (1.00) GHSR
SCHEMBL8272397 0.85 GHSR (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773869-B1 MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC (CA) 2012-08-22 EP disclosed
EP-2457925-A1 Process for preparing a macrocyclic modulator of the ghrelin receptor and intermediates Tranzyme Pharma, Inc. (US) 2012-05-30 EP disclosed
WO-2006009645-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA, INC. (US) 2006-01-26 WO disclosed