SCHEMBL8990881

SCHEMBL8990881

CC(C)(CC(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.44
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
KCNA5 P22460 3/20 0.31
KCNH2 Q12809 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
SCHEMBL8990957 0.95 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8991083 0.94 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990853 0.93 GHSR (0.37) GHSRKCNA5KCNH2
SCHEMBL8990759 0.93 GHSR (0.48) GHSRDRD2DRD4DRD3
SCHEMBL8990795 0.92 GHSR (0.43) GHSR
SCHEMBL8990981 0.91 GHSR (0.34) GHSRDRD2DRD4DRD3
SCHEMBL8990873 0.89 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990862 0.88 GHSR (0.45) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990751 0.87 GHSR (0.47) GHSR
SCHEMBL8991001 0.87 GHSR (0.42) GHSR

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