SCHEMBL8325845

SCHEMBL8325845

CNC(=O)CC1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5192834 0.83 SPHK2 (0.47) SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL8326443 0.81 KDM4E (0.55) SPHK2SPHK1HDAC8HDAC6HDAC1
SCHEMBL8330331 0.78 SPHK2 (0.45) SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL10462905 0.77 SPHK2 (0.50) SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL8327242 0.76 SPHK2 (0.49) SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL9892993 0.74 MAPK1 (0.55) SPHK2SPHK1HDAC8HDAC6HDAC1
SCHEMBL10208473 0.74 SPHK1 (0.70) SPHK2SPHK1
SCHEMBL8325591 0.74 OPRM1 (0.40) SPHK2SPHK1ALDH1A1
SCHEMBL26024237 0.73 CCR2 (0.47) SPHK2SPHK1HDAC8HDAC6HDAC1
SCHEMBL5191096 0.73 ALDH1A1 (0.46) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2

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