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SCHEMBL9740416

SCHEMBL9740416

CC(C)(N)CC(=O)N[C@@H]1CCc2cc(O)ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O.C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2cc(F)ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O.C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2cc(O)ccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ XIAP P98170 11/20 0.37
▸ NPY1R P25929 3/20 0.36

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
SCHEMBL9025319 0.95 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9024596 0.94 GHSR (0.53) GHSRAGTR1XIAPNPY1R
SCHEMBL9025410 0.91 GHSR (0.65) GHSRAGTR1XIAPNPY1R
SCHEMBL9025367 0.91 GHSR (0.65) GHSRAGTR1XIAPNPY1R
SCHEMBL9023959 0.90 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9024158 0.89 GHSR (0.66) GHSRAGTR1XIAPNPY1R
SCHEMBL9024548 0.89 GHSR (0.66) GHSRAGTR1XIAPNPY1R
L-692585 SCHEMBL9025213 0.88 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL9024978 0.88 GHSR (0.60) GHSRAGTR1XIAP
L-692585 SCHEMBL7474014 0.88 GHSR (0.60) GHSRAGTR1XIAP

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-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 — — WO claimed