SCHEMBL8990801

SCHEMBL8990801

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.39
KCNA5 P22460 2/20 0.34
AGTR1 P30556 1/20 0.33
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
XIAP P98170 1/20 0.31
BDKRB1 P46663 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
SCHEMBL8990750 0.94 GHSR (0.39) GHSRKCNA5AGTR1TSHRMEN1
SCHEMBL8990840 0.93 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL8990948 0.92 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL8990855 0.91 GHSR (0.48) GHSRAGTR1MEN1KMT2AXIAP
SCHEMBL8990933 0.91 GHSR (0.49) GHSRAGTR1XIAP
SCHEMBL8990858 0.89 GHSR (0.43) GHSRKCNA5AGTR1TSHRMEN1
SCHEMBL8990946 0.87 GHSR (0.40) GHSRKCNA5AGTR1XIAP
SCHEMBL8990997 0.86 GHSR (0.40) GHSRAGTR1
SCHEMBL8990877 0.86 GHSR (0.42) GHSRKCNA5MEN1KMT2AXIAP
SCHEMBL8990923 0.86 GHSR (0.47) 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 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