SCHEMBL8990880

SCHEMBL8990880

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.41
HDAC1 Q13547 2/20 0.37
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
PTGER1 P34995 2/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
HTR2A P28223 2/20 0.33
ADRA1A P35348 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
PTGER3 P43115 1/20 0.31
GAA P10253 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
SCHEMBL8990849 0.92 GHSR (0.42) GHSRAGTR1HDAC1PTGER1SMN1; SMN2
SCHEMBL8990915 0.92 GHSR (0.48) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990909 0.92 GHSR (0.38) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8991006 0.90 GHSR (0.37) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990845 0.90 GHSR (0.37) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990988 0.90 GHSR (0.38) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990681 0.89 GHSR (0.55) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990726 0.89 GHSR (0.37) GHSRAGTR1HDAC1DRD2DRD4
SCHEMBL8990872 0.85 GHSR (0.40) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990990 0.83 GHSR (0.38) GHSRAGTR1HDAC1HTR2ASMN1; SMN2

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