SCHEMBL8990737

SCHEMBL8990737

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3CC(NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
TACR1 P25103 2/20 0.34
KCNA3 P22001 1/20 0.33
APOB P04114 2/20 0.33
MTTP P55157 2/20 0.33
POLB P06746 1/20 0.33
AGTR1 P30556 2/20 0.32
ALOX5AP P20292 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
TNF P01375 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSK P43235 1/20 0.32
BRD4 O60885 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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 1.00 GHSR (0.43) GHSRHDAC1HDAC7TACR1KCNA3
SCHEMBL9111808 0.93 GHSR (0.40) GHSRHDAC1HDAC7TACR1KCNA3
SCHEMBL8990746 0.90 GHSR (0.50) GHSRHDAC1HDAC7TACR1AGTR1
SCHEMBL8990748 0.90 GHSR (0.50) GHSRHDAC1HDAC7TACR1AGTR1
SCHEMBL8990764 0.88 GHSR (0.59) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991040 0.86 GHSR (0.40) GHSRHDAC1HDAC7KCNA3POLB
SCHEMBL8991036 0.86 GHSR (0.40) GHSRHDAC1HDAC7KCNA3POLB
SCHEMBL8991051 0.85 GHSR (0.49) GHSRHDAC1HDAC7TACR1AGTR1
SCHEMBL8990927 0.84 GHSR (0.58) GHSRHDAC1HDAC7TACR1AGTR1
SCHEMBL8990687 0.84 ANPEP (0.35) HDAC1HDAC7AGTR1OPRM1OPRD1

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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed