SCHEMBL9405628

SCHEMBL9405628

N[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.53
GHSR Q92847 4/20 0.52
AGTR1 P30556 1/20 0.52

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
SCHEMBL9024283 0.93 XIAP (0.54) XIAPGHSRAGTR1
SCHEMBL9405704 0.92 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL9024929 0.92 GHSR (0.55) XIAPGHSRAGTR1
SCHEMBL9024572 0.91 GHSR (0.52) XIAPGHSRAGTR1
SCHEMBL9024272 0.91 GHSR (0.53) XIAPGHSRAGTR1
SCHEMBL9405556 0.91 GHSR (0.56) XIAPGHSRAGTR1
SCHEMBL9562958 0.89 XIAP (0.57) XIAPGHSRAGTR1
SCHEMBL9405558 0.89 XIAP (0.58) XIAPGHSRAGTR1
SCHEMBL9025303 0.89 XIAP (0.58) XIAPGHSRAGTR1
SCHEMBL9405617 0.86 GHSR (0.50) XIAPGHSRAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed