SCHEMBL8990769

SCHEMBL8990769

CC(C)(N)CC(=O)N[C@@H]1Sc2cc(F)ccc2CN(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
AGTR1 P30556 1/20 0.36
GHSR Q92847 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 3/20 0.34
TP53 P04637 1/20 0.34
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
EEF2K O00418 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
THRB P10828 1/20 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
SCHEMBL8990872 0.92 GHSR (0.40) HDAC3HDAC1HDAC2AGTR1GHSR
SCHEMBL8990996 0.91 KMT2A (0.38) AGTR1GHSRNPSR1KMT2ANAMPT
SCHEMBL8990882 0.90 ADRB2 (0.35) HDAC3HDAC1HDAC2NPSR1KMT2A
SCHEMBL8991085 0.90 ADRB2 (0.38) HDAC3HDAC1HDAC2NPSR1KMT2A
SCHEMBL8990990 0.88 GHSR (0.38) HDAC1AGTR1GHSRNPSR1KMT2A
SCHEMBL8990909 0.86 GHSR (0.38) HDAC1AGTR1GHSRKMT2AALDH1A1
SCHEMBL8990905 0.84 TSHR (0.37) HDAC3HDAC1HDAC2AGTR1GHSR
SCHEMBL8990950 0.82 ADRB2 (0.33) HDAC1AGTR1GHSRNPSR1KMT2A
SCHEMBL8990892 0.82 ADRB2 (0.31) NAMPTROCK2ALDH1A1TSHR
SCHEMBL8990940 0.82 KMT2A (0.35) NPSR1KMT2ATP53ALDH1A1LMNA

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