SCHEMBL9111808

SCHEMBL9111808

CCNC(=O)c1cc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)C(C)(C)N)C2=O)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
KCNA3 P22001 1/20 0.35
TACR1 P25103 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
ANPEP P15144 2/20 0.32
LNPEP Q9UIQ6 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
AGTR1 P30556 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL8990744 0.93 GHSR (0.43) GHSRHDAC1HDAC7KCNA3TACR1
SCHEMBL8990737 0.93 GHSR (0.43) GHSRHDAC1HDAC7KCNA3TACR1
SCHEMBL8990912 0.84 HDAC1 (0.34) GHSRHDAC1HDAC7TACR1OPRM1
SCHEMBL8990764 0.84 GHSR (0.59) GHSRTACR1OPRM1OPRD1HRH4
SCHEMBL8990748 0.82 GHSR (0.50) GHSRHDAC1HDAC7TACR1OPRM1
SCHEMBL8990746 0.82 GHSR (0.50) GHSRHDAC1HDAC7TACR1OPRM1
SCHEMBL8991051 0.81 GHSR (0.49) GHSRHDAC1HDAC7TACR1OPRM1
SCHEMBL8990927 0.80 GHSR (0.58) GHSRHDAC1HDAC7TACR1OPRM1
SCHEMBL8991149 0.80 GHSR (0.37) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990828 0.80 GHSR (0.44) GHSRHDAC1TACR1OPRM1OPRD1

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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed