SCHEMBL8990886

SCHEMBL8990886

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.50
AGTR1 P30556 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNA5 P22460 1/20 0.33
MEN1 O00255 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
THRB P10828 1/20 0.33
BDKRB1 P46663 1/20 0.33
MCHR1 Q99705 1/20 0.32
GRM2 Q14416 2/20 0.32
TSHR P16473 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL8990979 0.92 GHSR (0.51) GHSRAGTR1KMT2AKCNA5MEN1
SCHEMBL8990858 0.92 GHSR (0.43) GHSRAGTR1KMT2ASMN1; SMN2KCNA5
SCHEMBL8990951 0.91 GHSR (0.61) GHSRAGTR1KMT2AMEN1LIPG
SCHEMBL8990983 0.90 GHSR (0.62) GHSRAGTR1KMT2AMEN1LIPG
SCHEMBL8990776 0.89 GHSR (0.47) GHSRAGTR1KMT2ASMN1; SMN2MEN1
SCHEMBL8990941 0.89 GHSR (0.62) GHSRAGTR1LIPGTHRBMCHR1
SCHEMBL8991005 0.85 GHSR (0.55) GHSRAGTR1KMT2AMEN1BDKRB1
SCHEMBL8990801 0.85 GHSR (0.39) GHSRAGTR1KMT2AKCNA5MEN1
SCHEMBL8990924 0.85 GHSR (0.45) GHSRKMT2ASMN1; SMN2KCNA5MEN1
SCHEMBL8990750 0.84 GHSR (0.39) GHSRAGTR1KMT2AKCNA5MEN1

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