SCHEMBL8990741

SCHEMBL8990741

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.45
DRD2 P14416 8/20 0.35
DRD4 P21917 8/20 0.35
DRD3 P35462 8/20 0.35
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
HTR2A P28223 2/20 0.34
ADRA1A P35348 2/20 0.34
MLNR O43193 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 1/20 0.32
XIAP P98170 1/20 0.32
HTR7 P34969 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8990798 0.95 GHSR (0.44) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990834 0.94 GHSR (0.44) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990953 0.92 GHSR (0.51) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990921 0.91 GHSR (0.46) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990871 0.91 MTNR1A (0.34) GHSRMLNRKCNA5KCNH2MEN1
SCHEMBL8991015 0.90 GHSR (0.45) GHSRDRD2DRD4DRD3TACR1
SCHEMBL8990838 0.90 GHSR (0.51) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990932 0.90 GHSR (0.43) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8990712 0.89 GHSR (0.43) GHSRDRD2DRD4DRD3HTR1A
SCHEMBL8991060 0.88 GHSR (0.44) 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 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