SCHEMBL8990933

SCHEMBL8990933

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
PTGER1 P34995 1/20 0.31
XIAP P98170 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
SCHEMBL8990855 0.95 GHSR (0.48) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990759 0.94 GHSR (0.48) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990948 0.94 GHSR (0.47) GHSRAGTR1PTGER1XIAP
SCHEMBL8990840 0.92 GHSR (0.41) GHSRAGTR1XIAP
SCHEMBL8990801 0.91 GHSR (0.39) GHSRAGTR1XIAP
SCHEMBL8990735 0.91 GHSR (0.44) GHSR
SCHEMBL8991060 0.91 GHSR (0.44) GHSRDRD2DRD4DRD3
SCHEMBL8990988 0.90 GHSR (0.38) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990681 0.90 GHSR (0.55) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990751 0.89 GHSR (0.47) GHSRAGTR1

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