SCHEMBL8990750

SCHEMBL8990750

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.39
AGTR1 P30556 1/20 0.33
KCNA5 P22460 1/20 0.32
TSHR P16473 1/20 0.31
CASR P41180 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8990801 0.94 GHSR (0.39) GHSRAGTR1KCNA5TSHRMEN1
SCHEMBL8990997 0.93 GHSR (0.40) GHSRAGTR1
SCHEMBL8990923 0.92 GHSR (0.47) GHSRAGTR1
SCHEMBL8990759 0.91 GHSR (0.48) GHSRAGTR1
SCHEMBL8990751 0.91 GHSR (0.47) GHSRAGTR1MEN1KMT2A
SCHEMBL8990858 0.88 GHSR (0.43) GHSRAGTR1KCNA5TSHRMEN1
SCHEMBL8990755 0.87 GHSR (0.40) GHSRAGTR1
SCHEMBL8990840 0.86 GHSR (0.41) GHSRAGTR1
SCHEMBL8990948 0.86 GHSR (0.47) GHSRAGTR1
SCHEMBL8991009 0.86 GHSR (0.42) GHSRKCNA5MEN1KMT2A

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