SCHEMBL8108537

SCHEMBL8108537

CN(Cc1cccc(-c2cnc(-c3ccc(F)cc3)[nH]2)c1)C(CCC1CCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
CNR2 P34972 10/20 0.41
SCN2A Q99250 2/20 0.38
HPGDS O60760 2/20 0.38
CNR1 P21554 3/20 0.38

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
SCHEMBL7143632 0.95 SPHK1 (0.43) SPHK1CNR2SCN2ACNR1
SCHEMBL7135182 0.86 SCN2A (0.41) SPHK1CNR2SCN2AHPGDSCNR1
SCHEMBL7145620 0.85 SCN2A (0.41) SPHK1CNR2SCN2AHPGDSCNR1
SCHEMBL8124149 0.85 HPGDS (0.40) SPHK1CNR2SCN2AHPGDSCNR1
SCHEMBL7140243 0.79 SCN2A (0.42) SPHK1CNR2SCN2AHPGDSCNR1
SCHEMBL7143629 0.74 SPHK1 (0.43) SPHK1CNR2SCN2ACNR1
SCHEMBL8190596 0.74 CNR2 (0.46) CNR2SCN2AHPGDSCNR1
SCHEMBL8124147 0.74 HPGDS (0.41) SPHK1CNR2SCN2AHPGDSCNR1
SCHEMBL8108540 0.71 SPHK1 (0.39) SPHK1CNR2HPGDSCNR1
SCHEMBL8119014 0.71 KCNH2 (0.51) SPHK1CNR2HPGDSCNR1

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
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed