SCHEMBL8991065

SCHEMBL8991065

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.39
AGTR1 P30556 1/20 0.38
KCNA5 P22460 2/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G2A P14555 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
TSHR P16473 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK5 O95279 1/20 0.33
KCNK17 Q96T54 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8990924 0.92 GHSR (0.45) GHSRKCNA5KCNH2PLA2G2ASIGMAR1
SCHEMBL8990858 0.86 GHSR (0.43) GHSRAGTR1KCNA5HTR7MEN1
SCHEMBL8990821 0.85 GHSR (0.54) GHSRKCNA5KCNH2PLA2G2AHTR7
SCHEMBL8990947 0.85 GHSR (0.38) GHSRAGTR1SIGMAR1KMT2AALDH1A1
SCHEMBL8990822 0.85 GHSR (0.55) GHSRKCNA5KCNH2PLA2G2AMEN1
SCHEMBL8991006 0.84 GHSR (0.37) GHSRAGTR1SIGMAR1MEN1KMT2A
SCHEMBL8990929 0.84 GHSR (0.55) GHSRKCNA5KCNH2PLA2G2AMEN1
SCHEMBL8990767 0.83 GHSR (0.48) GHSRAGTR1KCNA5KCNH2SIGMAR1
SCHEMBL8990877 0.83 GHSR (0.42) GHSRKCNA5KCNH2PLA2G2AMEN1
SCHEMBL8991060 0.83 GHSR (0.44) GHSRKCNA5KCNH2PLA2G2AMEN1

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