SCHEMBL8990726

SCHEMBL8990726

CC(C)(CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O)NC[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.37
AGTR1 P30556 1/20 0.33
HDAC1 Q13547 1/20 0.32
PTGER1 P34995 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL8990988 0.94 GHSR (0.38) GHSRAGTR1HDAC1PTGER1DRD2
SCHEMBL8990833 0.93 GHSR (0.35) GHSRAGTR1HDAC1PTGER1
SCHEMBL8990981 0.92 GHSR (0.34) GHSRDRD2DRD4DRD3
SCHEMBL8991081 0.91 GHSR (0.33) GHSR
SCHEMBL8991053 0.91 GHSR (0.33) GHSRDRD2DRD4DRD3
SCHEMBL8990759 0.90 GHSR (0.48) GHSRAGTR1PTGER1DRD2DRD4
SCHEMBL8990880 0.89 GHSR (0.42) GHSRAGTR1HDAC1PTGER1DRD2
SCHEMBL8991018 0.87 GHSR (0.35) GHSRAGTR1HDAC1PTGER1
SCHEMBL8990830 0.87 ADRB2 (0.36) GHSRAGTR1HDAC1
SCHEMBL8990964 0.86 GHSR (0.34) GHSRAGTR1DRD2DRD4DRD3

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