SCHEMBL8990840

SCHEMBL8990840

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
AGTR1 P30556 1/20 0.35
XIAP P98170 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL8990997 0.94 GHSR (0.40) GHSRAGTR1
SCHEMBL8990948 0.93 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL8990801 0.93 GHSR (0.39) GHSRAGTR1XIAP
SCHEMBL8990855 0.92 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL8990933 0.92 GHSR (0.49) GHSRAGTR1XIAP
SCHEMBL8990747 0.91 GHSR (0.36) GHSRAGTR1
SCHEMBL8990763 0.87 GHSR (0.42) GHSRAGTR1
SCHEMBL8990750 0.86 GHSR (0.39) GHSRAGTR1
SCHEMBL8990923 0.86 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL8990853 0.86 GHSR (0.37) GHSRAGTR1

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed