SCHEMBL8328955

SCHEMBL8328955

CC(C)(C)OC(=O)N(CCCCN)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
NCOR2 Q9Y618 1/20 0.43
SOAT1 P35610 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
SSTR4 P31391 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACHE P22303 1/20 0.41
ROCK1 Q13464 1/20 0.41
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
RIPK1 Q13546 2/20 0.40

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
SCHEMBL8329746 0.99 SOAT1 (0.43) HDAC3HDAC1HDAC2NCOR2SOAT1
SCHEMBL8331481 0.96 SSTR4 (0.42) HDAC3HDAC1HDAC2NCOR2SOAT1
SCHEMBL2259362 0.91 ROCK1 (0.48) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL8329134 0.88 ROCK1 (0.46) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL25047728 0.87 SSTR4 (0.48) HDAC3HDAC1HDAC2NCOR2SOAT1
SCHEMBL7497944 0.85 SSTR4 (0.40) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL25047643 0.85 CA12 (0.43) CA14GRM2
SCHEMBL4744310 0.84 SSTR4 (0.56) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL8329242 0.84 ROCK1 (0.45) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL8679115 0.83 HDAC3 (0.51) HDAC3HDAC1HDAC2NCOR2MC4R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed