SCHEMBL8117997

SCHEMBL8117997

c1ccc(-c2ncc(-c3cccc(CNC4CCC4)c3)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.50
NPY5R Q15761 2/20 0.49
CNR2 P34972 7/20 0.46
CNR1 P21554 3/20 0.46
MAP4K4 O95819 2/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PARP1 P09874 2/20 0.45
HPGDS O60760 2/20 0.44
VCP P55072 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
SCHEMBL7139526 0.98 SCN2A (0.50) SCN2ANPY5RCNR2CNR1MAP4K4
SCHEMBL7142302 0.95 SCN2A (0.52) SCN2ANPY5RCNR2CNR1MAP4K4
SCHEMBL7143478 0.91 KCNH2 (0.49) SCN2ACNR2CNR1MAP4K4PARP1
SCHEMBL8190593 0.90 KCNH2 (0.48) SCN2ACNR2CNR1MAP4K4PARP1
SCHEMBL8119014 0.88 KCNH2 (0.51) CNR2CNR1MAP4K4PARP1HPGDS
SCHEMBL7138368 0.86 CNR2 (0.47) SCN2ACNR2CNR1MAP4K4HPGDS
SCHEMBL8118669 0.84 KCNH2 (0.46) CNR2CNR1MAP4K4PARP1HPGDS
SCHEMBL7142374 0.81 SCN2A (0.58) SCN2ANPY5RCNR2CNR1PRMT6
SCHEMBL7145532 0.79 SCN2A (0.53) SCN2ANPY5RCNR2CNR1MAP4K4
SCHEMBL7140240 0.78 SCN2A (0.42) SCN2ANPY5RCNR2CNR1HPGDS

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