SCHEMBL8990951

SCHEMBL8990951

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.61
AGTR1 P30556 1/20 0.34
MCHR1 Q99705 1/20 0.34
XIAP P98170 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGER1 P34995 2/20 0.33
THRB P10828 1/20 0.33
PTGER3 P43115 1/20 0.32
GRM2 Q14416 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 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
SCHEMBL8990983 0.93 GHSR (0.62) GHSRAGTR1MCHR1XIAPLIPG
SCHEMBL8990941 0.92 GHSR (0.62) GHSRAGTR1MCHR1LIPGPTGER1
SCHEMBL8990979 0.92 GHSR (0.51) GHSRAGTR1XIAPLIPGPTGER1
SCHEMBL8990991 0.92 GHSR (0.54) GHSRAGTR1MCHR1XIAPLIPG
SCHEMBL8990935 0.91 GHSR (0.55) GHSRMCHR1LIPGMEN1KMT2A
SCHEMBL8990886 0.91 GHSR (0.50) GHSRAGTR1MCHR1LIPGTHRB
SCHEMBL8990807 0.90 GHSR (0.54) GHSRAGTR1MCHR1KMT2A
SCHEMBL8990821 0.90 GHSR (0.54) GHSRMCHR1XIAPMEN1KMT2A
SCHEMBL8990776 0.89 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL8990975 0.86 GHSR (0.45) GHSRAGTR1PTGER1PTGER3GRM2

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 2 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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed