SCHEMBL8990974

SCHEMBL8990974

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
PPARG P37231 2/20 0.37
AGTR1 P30556 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA3 P22001 1/20 0.34
ALOX5AP P20292 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL8990967 1.00 GHSR (0.45) GHSRHDAC1HDAC7PPARGAGTR1
SCHEMBL8990869 0.89 GHSR (0.40) GHSRHDAC1HDAC7PPARGAGTR1
SCHEMBL8991036 0.89 GHSR (0.40) GHSRHDAC1HDAC7PPARGAGTR1
SCHEMBL8990863 0.89 GHSR (0.40) GHSRHDAC1HDAC7PPARGAGTR1
SCHEMBL8991040 0.89 GHSR (0.40) GHSRHDAC1HDAC7PPARGAGTR1
SCHEMBL8990983 0.86 GHSR (0.62) GHSRHDAC1HDAC7AGTR1MEN1
SCHEMBL8990776 0.85 GHSR (0.47) GHSRHDAC1HDAC7AGTR1MEN1
SCHEMBL8990748 0.85 GHSR (0.50) GHSRHDAC1HDAC7AGTR1MEN1
SCHEMBL8990746 0.85 GHSR (0.50) GHSRHDAC1HDAC7AGTR1MEN1
SCHEMBL8990979 0.84 GHSR (0.51) GHSRHDAC1HDAC7AGTR1MEN1

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