SCHEMBL8991040

SCHEMBL8991040

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.40
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
KCNA3 P22001 1/20 0.33
POLB P06746 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALOX5AP P20292 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSK P43235 1/20 0.32
BRD4 O60885 1/20 0.31
AGTR1 P30556 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
SCHEMBL8991036 1.00 GHSR (0.40) GHSRHDAC1HDAC7KCNA3POLB
SCHEMBL8990974 0.89 GHSR (0.45) GHSRHDAC1HDAC7KCNA3ALOX5AP
SCHEMBL8990967 0.89 GHSR (0.45) GHSRHDAC1HDAC7KCNA3ALOX5AP
SCHEMBL8990869 0.88 GHSR (0.40) GHSRHDAC1HDAC7PPARGKMT2A
SCHEMBL8990863 0.88 GHSR (0.40) GHSRHDAC1HDAC7PPARGKMT2A
SCHEMBL8990744 0.86 GHSR (0.43) GHSRHDAC1HDAC7KCNA3POLB
SCHEMBL8990737 0.86 GHSR (0.43) GHSRHDAC1HDAC7KCNA3POLB
SCHEMBL8990770 0.85 HDAC1 (0.31) HDAC1HDAC7SIGMAR1AGTR1
SCHEMBL8990807 0.84 GHSR (0.54) GHSRKMT2AAGTR1
SCHEMBL8990995 0.84

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 4 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed