SCHEMBL8990912

SCHEMBL8990912

CSc1ccc2c(c1)C[C@@H](NC(=O)C(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3)c(-c3nnn[nH]3)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
GHSR Q92847 4/20 0.33
AGTR1 P30556 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
TACR1 P25103 2/20 0.31
CALCRL Q16602 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 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
SCHEMBL8991149 0.94 GHSR (0.37) GHSRAGTR1OPRM1OPRD1TACR1
SCHEMBL8991075 0.86 GHSR (0.46) GHSRAGTR1OPRM1OPRD1TACR1
SCHEMBL8995722 0.85 AGTR1 (0.32) GHSRAGTR1
SCHEMBL9111808 0.84 GHSR (0.40) HDAC1HDAC7GHSRAGTR1OPRM1
SCHEMBL8990728 0.84 GHSR (0.42) GHSRAGTR1OPRM1OPRD1TACR1
SCHEMBL8991104 0.84 GHSR (0.38) GHSRAGTR1OPRM1OPRD1TACR1
SCHEMBL8990895 0.82 GHSR (0.37) GHSRAGTR1
SCHEMBL8991039 0.82 AGTR1 (0.41) HDAC1HDAC7GHSRAGTR1OPRM1
SCHEMBL8990756 0.80 AGTR1 (0.36) GHSRAGTR1TACR1
SCHEMBL8991115 0.79 AGTR1 (0.36) GHSRAGTR1

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 disclosed