SCHEMBL8990924

SCHEMBL8990924

COc1ccc2c(c1)S[C@@H](NC(=O)C(C)(C)N)C(=O)N(Cc1ccc(-c3ccccc3CNC(N)=O)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.45
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
PLA2G2A P14555 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MLNR O43193 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
F10 P00742 1/20 0.33
HTR7 P34969 1/20 0.33
ROCK1 Q13464 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL8990821 0.93 GHSR (0.54) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990822 0.92 GHSR (0.55) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8991065 0.92 GHSR (0.39) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990929 0.92 GHSR (0.55) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990887 0.90 GHSR (0.46) GHSRKCNA5KCNH2MLNRMEN1
SCHEMBL8990979 0.89 GHSR (0.51) GHSRKCNA5KCNH2MEN1KMT2A
SCHEMBL8990863 0.85 GHSR (0.40) GHSRMEN1KMT2A
SCHEMBL8990869 0.85 GHSR (0.40) GHSRMEN1KMT2A
SCHEMBL8990886 0.85 GHSR (0.50) GHSRKCNA5SMN1; SMN2MEN1KMT2A
SCHEMBL8990935 0.83 GHSR (0.55) GHSRKCNA5KCNH2MLNRMEN1

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