SCHEMBL8990909

SCHEMBL8990909

CC(C)(N)CC(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
DRD3 P35462 5/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
HDAC1 Q13547 1/20 0.33
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
DRD1 P21728 2/20 0.32
DRD5 P21918 2/20 0.32
HTR2A P28223 2/20 0.32
ADRA1A P35348 2/20 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
SCHEMBL8990990 0.92 GHSR (0.38) GHSRAGTR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8990880 0.92 GHSR (0.42) GHSRAGTR1SMN1; SMN2DRD2DRD4
SCHEMBL8991006 0.91 GHSR (0.37) GHSRAGTR1SMN1; SMN2DRD2DRD4
SCHEMBL8990845 0.91 GHSR (0.37) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990964 0.90 GHSR (0.34) GHSRAGTR1SMN1; SMN2DRD2DRD4
SCHEMBL8990981 0.90 GHSR (0.34) GHSRSMN1; SMN2DRD2DRD4DRD3
SCHEMBL8990769 0.86 HDAC3 (0.36) GHSRAGTR1SMN1; SMN2ALDH1A1GAA
SCHEMBL8990767 0.84 GHSR (0.48) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8990719 0.83 SMN1; SMN2 (0.34) GHSRAGTR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8990849 0.83 GHSR (0.42) GHSRAGTR1SMN1; SMN2ALDH1A1MEN1

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