SCHEMBL7785970

SCHEMBL7785970

CCCC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3COC(=O)NC)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.46
GHSR Q92847 4/20 0.44
F7 P08709 4/20 0.39
F3 P13726 4/20 0.39
ACE P12821 4/20 0.39
MME P08473 3/20 0.39
GSK3B P49841 1/20 0.38
AGTR1 P30556 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL7786108 0.94 XIAP (0.47) XIAPGHSRF7F3ACE
SCHEMBL7791878 0.89 GHSR (0.49) XIAPGHSRF7F3ACE
SCHEMBL7794457 0.88 GHSR (0.57) XIAPGHSRF7F3ACE
SCHEMBL7794541 0.87 GHSR (0.49) XIAPGHSRF7F3ACE
SCHEMBL7786012 0.87 GHSR (0.59) XIAPGHSRF7F3ACE
SCHEMBL7786010 0.85 GHSR (0.59) XIAPGHSRAGTR1
SCHEMBL7791803 0.84 XIAP (0.44) XIAPGHSRF7F3ACE
SCHEMBL7796037 0.84 GHSR (0.51) XIAPGHSRF7F3ACE
SCHEMBL7795736 0.84 XIAP (0.42) XIAPGHSRF7F3ACE
SCHEMBL7792504 0.84 GHSR (0.60) XIAPGHSRF7F3ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP claimed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed