SCHEMBL8990948

SCHEMBL8990948

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.33
XIAP P98170 1/20 0.32
PTGER1 P34995 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
SCHEMBL8990933 0.94 GHSR (0.49) GHSRAGTR1XIAPPTGER1
SCHEMBL8990855 0.94 GHSR (0.48) GHSRAGTR1XIAPPTGER1
SCHEMBL8990923 0.94 GHSR (0.47) GHSRAGTR1XIAPPTGER1
SCHEMBL8990840 0.93 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL8990873 0.92 GHSR (0.43) GHSRAGTR1
SCHEMBL8990801 0.92 GHSR (0.39) GHSRAGTR1XIAP
SCHEMBL8990877 0.91 GHSR (0.42) GHSRXIAP
SCHEMBL8990904 0.91 GHSR (0.42) GHSR
SCHEMBL8991018 0.89 GHSR (0.35) GHSRAGTR1XIAPPTGER1
SCHEMBL8990991 0.89 GHSR (0.54) GHSRAGTR1XIAPPTGER1

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
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