SCHEMBL8990905

SCHEMBL8990905

CC(C)(N)C(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GHSR Q92847 4/20 0.37
GAA P10253 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NAMPT P43490 2/20 0.34
ROCK2 O75116 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
AGTR1 P30556 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8990872 0.92 GHSR (0.40) TSHRALDH1A1GHSRGAAHDAC1
SCHEMBL8990950 0.86 ADRB2 (0.33) TSHRALDH1A1GHSRGAAHDAC1
SCHEMBL8990830 0.85 ADRB2 (0.36) TSHRALDH1A1GHSRGAAHDAC1
SCHEMBL8990769 0.84 HDAC3 (0.36) TSHRALDH1A1GHSRGAAHDAC1
SCHEMBL8990915 0.84 GHSR (0.48) ALDH1A1GHSRHDAC1SMN1; SMN2KMT2A
SCHEMBL8990996 0.83 KMT2A (0.38) ALDH1A1GHSRMAPTKDM4ENAMPT
SCHEMBL8990776 0.82 GHSR (0.47) GHSRHDAC1SMN1; SMN2KMT2AAGTR1
SCHEMBL8990882 0.79 ADRB2 (0.35) TSHRALDH1A1GAAHDAC1HDAC3
SCHEMBL8990974 0.78 GHSR (0.45) ALDH1A1GHSRHDAC1KMT2AAGTR1
SCHEMBL8990979 0.78 GHSR (0.51) GHSRHDAC1KMT2AAGTR1MEN1

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