SCHEMBL8995723

SCHEMBL8995723

COc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C(=O)N(Cc1ccc(-c3ccccc3)c(CNC(=O)NCCO)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
DGAT2 Q96PD7 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8991060 0.93 GHSR (0.44) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990877 0.88 GHSR (0.42) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8991050 0.87 GHSR (0.34) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990933 0.84 GHSR (0.49) GHSRDRD2DRD4DRD3
SCHEMBL8990735 0.84 GHSR (0.44) GHSR
SCHEMBL8991009 0.83 GHSR (0.42) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990943 0.82 FPR1 (0.34) GHSRKMT2A
SCHEMBL8991053 0.81 GHSR (0.33) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990741 0.81 GHSR (0.45) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990929 0.81 GHSR (0.55) GHSRDRD2DRD4DRD3HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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