SCHEMBL8990964

SCHEMBL8990964

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 3/20 0.31
THRB P10828 1/20 0.31
FPR1 P21462 2/20 0.30
FPR2 P25090 2/20 0.30
NPY1R P25929 1/20 0.30
AGTR1 P30556 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
SCHEMBL8990981 0.94 GHSR (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990719 0.94 SMN1; SMN2 (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990988 0.92 GHSR (0.38) GHSRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8990978 0.91 GHSR (0.34) GHSR
SCHEMBL8991050 0.91 GHSR (0.34) GHSRMEN1KMT2ADRD2DRD4
SCHEMBL8990909 0.90 GHSR (0.38) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990894 0.88 SMN1; SMN2 (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990882 0.88 ADRB2 (0.35) SMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL8990726 0.86 GHSR (0.37) GHSRDRD2DRD4DRD3AGTR1
SCHEMBL8990873 0.86 GHSR (0.43) GHSRDRD2DRD4DRD3AGTR1

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 1 patent. 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