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SCHEMBL8991051

SCHEMBL8991051

CSc1ccc2c(c1)C[C@@H](NC(=O)C(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3CNC(N)=O)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.49
▸ TACR1 P25103 2/20 0.36
▸ OPRM1 P35372 4/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ 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
SCHEMBL8990927 0.93 GHSR (0.58) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990764 0.92 GHSR (0.59) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990785 0.92 GHSR (0.41) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL9107587 0.92 GHSR (0.59) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8991054 0.90 GHSR (0.56) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990832 0.86 GHSR (0.37) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990744 0.85 GHSR (0.43) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990737 0.85 GHSR (0.43) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990944 0.84 GHSR (0.51) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990828 0.84 GHSR (0.44) 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 1 patent. 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