SCHEMBL8990934

SCHEMBL8990934

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
TACR1 P25103 1/20 0.33
AGTR1 P30556 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
XIAP P98170 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
SCHEMBL8990713 0.94 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991015 0.94 GHSR (0.45) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990832 0.93 GHSR (0.37) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991017 0.92 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991016 0.91 GHSR (0.44) GHSRTACR1AGTR1OPRM1
SCHEMBL8990806 0.89 GHSR (0.43) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990906 0.89 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990904 0.88 GHSR (0.42) GHSR
SCHEMBL8991025 0.86 GHSR (0.48) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990953 0.86 GHSR (0.51) GHSRTACR1AGTR1OPRM1OPRD1

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