SCHEMBL8990888

SCHEMBL8990888

CSc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3)c(CO)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
GHSR Q92847 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.32
KCNA5 P22460 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8991057 0.92 GHSR (0.40) AGTR1GHSRHDAC1HDAC7SIGMAR1
SCHEMBL8990788 0.85 GHSR (0.47) AGTR1GHSRSIGMAR1
SCHEMBL8990938 0.84 GHSR (0.48) AGTR1GHSRSIGMAR1
SCHEMBL8990793 0.83 GHSR (0.38) AGTR1GHSRHDAC1SIGMAR1KMT2A
SCHEMBL8990823 0.82 AGTR1 (0.42) AGTR1GHSRSIGMAR1
SCHEMBL8990845 0.81 GHSR (0.37) AGTR1GHSRHDAC1SIGMAR1KMT2A
SCHEMBL8990949 0.78 GHSR (0.43) AGTR1GHSRKMT2A
SCHEMBL8990747 0.77 GHSR (0.36) AGTR1GHSR
SCHEMBL8991052 0.77
SCHEMBL8990891 0.76 GHSR (0.36) AGTR1GHSR

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