SCHEMBL6163682

SCHEMBL6163682

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1Cc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.53
CCKBR P32239 3/20 0.47
TMPRSS2 O15393 1/20 0.44
UGCG Q16739 3/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
CYP3A4 P08684 1/20 0.43
HCRTR2 O43614 2/20 0.42

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
SCHEMBL6163691 1.00 GHSR (0.53) GHSRCCKBRTMPRSS2UGCGL3MBTL3
Trifluoroacetic Acid SCHEMBL6164358 0.96 GHSR (0.49) GHSRCCKBRTMPRSS2UGCGCYP3A4
SCHEMBL6164572 0.94 GHSR (0.52) GHSRCCKBRTMPRSS2UGCGCYP3A4
SCHEMBL6164577 0.94 GHSR (0.52) GHSRCCKBRTMPRSS2UGCGCYP3A4
Hydrochloric Acid SCHEMBL6164015 0.93 GHSR (0.51) GHSRCCKBRTMPRSS2UGCGCYP3A4
Hydrochloric Acid SCHEMBL6164009 0.93 GHSR (0.51) GHSRCCKBRTMPRSS2UGCGCYP3A4
SCHEMBL6166160 0.87 CCKBR (0.44) GHSRCCKBRTMPRSS2UGCGL3MBTL3
SCHEMBL6166156 0.87 CCKBR (0.44) GHSRCCKBRTMPRSS2UGCGL3MBTL3
SCHEMBL6160785 0.85 GHSR (0.52) GHSRCCKBRTMPRSS2UGCGCYP3A4
SCHEMBL6160779 0.85 GHSR (0.52) GHSRCCKBRTMPRSS2UGCGCYP3A4

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed