SCHEMBL8327242

SCHEMBL8327242

NCC1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.49
SPHK1 Q9NYA1 6/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.44
GBA1 P04062 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9131967 0.95 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL9134554 0.95 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL10355476 0.95 SPHK1 (0.53) SPHK2SPHK1ALDH1A1GBA1
SCHEMBL10462905 0.86 SPHK2 (0.50) SPHK2SPHK1ALDH1A1MAPK1GBA1
SCHEMBL1713938 0.84 OPRD1 (0.52) SPHK2SPHK1ALDH1A1
SCHEMBL6335780 0.84 OPRD1 (0.52) SPHK2SPHK1ALDH1A1
SCHEMBL9148606 0.83 SPHK2 (0.51) SPHK2SPHK1GBA1
SCHEMBL9148614 0.83 SPHK2 (0.51) SPHK2SPHK1GBA1
SCHEMBL24200047 0.83 OPRD1 (0.51) SPHK2SPHK1
SCHEMBL5192834 0.81 SPHK2 (0.47) SPHK2SPHK1ALDH1A1MAPK1SMN1; 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