SCHEMBL6164577

SCHEMBL6164577

CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCc2ccc(NC(=O)c3ccccc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.52
HCRTR2 O43614 4/20 0.49
KMT2A Q03164 1/20 0.49
TMPRSS2 O15393 1/20 0.48
CCKBR P32239 3/20 0.47
UGCG Q16739 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
HCRTR1 O43613 2/20 0.43
CYP3A4 P08684 1/20 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
SCHEMBL6164572 1.00 GHSR (0.52) GHSRHCRTR2KMT2ATMPRSS2CCKBR
Hydrochloric Acid SCHEMBL6164009 0.99 GHSR (0.51) GHSRHCRTR2KMT2ATMPRSS2CCKBR
Hydrochloric Acid SCHEMBL6164015 0.99 GHSR (0.51) GHSRHCRTR2KMT2ATMPRSS2CCKBR
SCHEMBL6163691 0.94 GHSR (0.53) GHSRHCRTR2TMPRSS2CCKBRUGCG
SCHEMBL6163682 0.94 GHSR (0.53) GHSRHCRTR2TMPRSS2CCKBRUGCG
SCHEMBL6160785 0.92 GHSR (0.52) GHSRHCRTR2KMT2ATMPRSS2CCKBR
SCHEMBL6160779 0.92 GHSR (0.52) GHSRHCRTR2KMT2ATMPRSS2CCKBR
SCHEMBL6160303 0.91 GHSR (0.51) GHSRHCRTR2KMT2ACCKBRUGCG
SCHEMBL6160305 0.91 GHSR (0.51) GHSRHCRTR2KMT2ACCKBRUGCG
Trifluoroacetic Acid SCHEMBL6164358 0.90 GHSR (0.49) GHSRHCRTR2TMPRSS2CCKBRUGCG

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