SCHEMBL8990981

SCHEMBL8990981

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
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 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
THRB P10828 1/20 0.30
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
CASR P41180 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL8990964 0.94 GHSR (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990894 0.94 SMN1; SMN2 (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990726 0.92 GHSR (0.37) GHSRDRD2DRD4DRD3
SCHEMBL8991081 0.92 GHSR (0.33) GHSR
SCHEMBL8991053 0.92 GHSR (0.33) GHSRKMT2ADRD2DRD4DRD3
SCHEMBL8990881 0.91 GHSR (0.44) GHSRDRD2DRD4DRD3
SCHEMBL8990909 0.90 GHSR (0.38) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8990719 0.88 SMN1; SMN2 (0.34) GHSRSMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL8991085 0.88 ADRB2 (0.38) ALDH1A1GAAKMT2AADRB2ADRB1
SCHEMBL8990901 0.87 MEN1 (0.32) SMN1; SMN2MEN1ALDH1A1GAAKMT2A

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