SCHEMBL9119997

SCHEMBL9119997

CCNC(=O)c1cc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CSc3ccccc32)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.45
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
F7 P08709 4/20 0.38
F3 P13726 4/20 0.38
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.37
GHSR Q92847 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
GFER P55789 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL9105107 0.92 GHSR (0.42) XIAPMAPTPOLBF7F3
SCHEMBL9105116 0.92 GHSR (0.42) XIAPMAPTPOLBF7F3
SCHEMBL9117873 0.86 NPSR1 (0.47) XIAPMAPTPOLBF7F3
SCHEMBL9105221 0.85 GHSR (0.42) XIAPMAPTPOLBF7F3
SCHEMBL9105226 0.85 GHSR (0.42) XIAPMAPTPOLBF7F3
SCHEMBL9106381 0.84 GHSR (0.55) XIAPMAPTPOLBF7F3
SCHEMBL9025599 0.84 GHSR (0.42) XIAPGHSR
SCHEMBL9109384 0.83 GHSR (0.40) XIAPF7F3F2GHSR
SCHEMBL9109388 0.83 GHSR (0.40) XIAPF7F3F2GHSR
SCHEMBL9120215 0.83 GHSR (0.41) XIAPPOLBGHSRALDH1A1NPSR1

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