SCHEMBL9118934

SCHEMBL9118934

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCc3cc4ccccc4o3)CSc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
XIAP P98170 1/20 0.39
AGTR1 P30556 1/20 0.37
F7 P08709 6/20 0.36
F3 P13726 6/20 0.36
F2 P00734 2/20 0.36
RIPK1 Q13546 1/20 0.34
MME P08473 3/20 0.33
ACE P12821 3/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL9118938 1.00 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9105116 0.89 GHSR (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9105107 0.89 GHSR (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9104316 0.88 GHSR (0.54) GHSRXIAPAGTR1
SCHEMBL9104324 0.88 GHSR (0.54) GHSRXIAPAGTR1
SCHEMBL9107843 0.88 GHSR (0.52) GHSRXIAPAGTR1F7F3
SCHEMBL9109384 0.87 GHSR (0.40) GHSRXIAPAGTR1F7F3
SCHEMBL9109388 0.87 GHSR (0.40) GHSRXIAPAGTR1F7F3
SCHEMBL9030610 0.86 XIAP (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9103074 0.86 GHSR (0.44) GHSRXIAPAGTR1F7F3

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-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed