SCHEMBL8990770

SCHEMBL8990770

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTGES O14684 1/20 0.31
AGTR1 P30556 7/20 0.30
MME P08473 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
SCHEMBL8990987 0.95 HDAC1 (0.30) HDAC1HDAC7PTGES
SCHEMBL8990965 0.91 CCR3 (0.34) HDAC1HDAC7AGTR1MME
SCHEMBL8990778 0.87 SIGMAR1 (0.32) HDAC1HDAC7SIGMAR1
SCHEMBL8990687 0.87 ANPEP (0.35) HDAC1HDAC7AGTR1MME
SCHEMBL8991040 0.85 GHSR (0.40) HDAC1HDAC7SIGMAR1AGTR1
SCHEMBL8991036 0.85 GHSR (0.40) HDAC1HDAC7SIGMAR1AGTR1
SCHEMBL8990995 0.84
SCHEMBL8990976 0.80 ANPEP (0.40) HDAC1HDAC7AGTR1MME
SCHEMBL8990864 0.79 ANPEP (0.36) AGTR1MME
SCHEMBL8990989 0.78 CCR3 (0.33) HDAC1HDAC7AGTR1

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