SCHEMBL8330331

SCHEMBL8330331

CNCCC1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL8967844 0.82 SPHK2 (0.46) SPHK2SPHK1CARM1PRMT6
SCHEMBL10462905 0.80 SPHK2 (0.50) SPHK2SPHK1ALDH1A1KDM4EMAPK1
SCHEMBL8327242 0.79 SPHK2 (0.49) SPHK2SPHK1ALDH1A1KDM4EMAPK1
SCHEMBL16225834 0.78 MEN1 (0.55) SPHK2SPHK1OPRK1
SCHEMBL8325845 0.78 SPHK2 (0.45) SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL9148606 0.77 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL9148614 0.77 SPHK2 (0.51) SPHK2SPHK1
SCHEMBL9892993 0.77 MAPK1 (0.55) SPHK2SPHK1ALDH1A1MAPK1CRHBP
SCHEMBL21538565 0.76 CARM1 (0.47) CARM1PRMT6TAAR1
SCHEMBL8325593 0.75 SPHK2 (0.41) SPHK2SPHK1ALDH1A1MAPK1CRHBP

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