SCHEMBL8990927

SCHEMBL8990927

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
TACR1 P25103 2/20 0.35
MCHR1 Q99705 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
AGTR1 P30556 1/20 0.32
THRB P10828 1/20 0.32
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL8990764 0.94 GHSR (0.59) GHSRTACR1MCHR1OPRM1OPRD1
SCHEMBL9107587 0.93 GHSR (0.59) GHSRTACR1MCHR1OPRM1OPRD1
SCHEMBL8991051 0.93 GHSR (0.49) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990816 0.90 GHSR (0.68) GHSRTACR1MCHR1OPRM1OPRD1
SCHEMBL8991034 0.90 GHSR (0.60) GHSRTACR1MCHR1OPRM1FNTA
SCHEMBL8990704 0.89 GHSR (0.58) GHSRTACR1MCHR1KMT2A
SCHEMBL8990828 0.88 GHSR (0.44) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990807 0.86 GHSR (0.54) GHSRMCHR1AGTR1KMT2A
SCHEMBL8990944 0.86 GHSR (0.51) GHSRTACR1MCHR1OPRM1OPRD1
SCHEMBL8990934 0.85 GHSR (0.43) GHSRTACR1OPRM1OPRD1AGTR1

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