SCHEMBL9024772

SCHEMBL9024772

CC(C)(N)CC(=O)NC1Sc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
AGTR1 P30556 1/20 0.52
GSK3B P49841 1/20 0.35
PPARG P37231 1/20 0.34
SRC P12931 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9025758 0.87 GHSR (0.58) GHSRAGTR1
SCHEMBL14288709 0.87 GHSR (0.58) GHSRAGTR1
SCHEMBL9694552 0.86 GHSR (0.48) GHSRAGTR1HDAC1HDAC7
SCHEMBL8990860 0.86 GHSR (0.48) GHSRAGTR1HDAC1HDAC7
SCHEMBL9024321 0.84 GHSR (0.59) GHSRAGTR1
SCHEMBL9024343 0.84 GHSR (0.65) GHSRAGTR1HDAC6
Trifluoroacetic Acid SCHEMBL9104507 0.83 GHSR (0.54) GHSRAGTR1
SCHEMBL9025881 0.83 GHSR (0.51) GHSRAGTR1HDAC6HDAC3HDAC1
L-158432 SCHEMBL9023762 0.82 GHSR (0.76) GHSRAGTR1
L-158432 SCHEMBL7417293 0.82 GHSR (0.76) GHSRAGTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed