SCHEMBL8189646

SCHEMBL8189646

CON1N=C1c1cc(C(F)(F)F)ccc1C(=O)Nc1cccc2c1CCN(C)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
KLKB1 P03952 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KDR P35968 3/20 0.38
LCK P06239 2/20 0.37
SCN9A Q15858 5/20 0.37
SCN5A Q14524 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
SRPK1 Q96SB4 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL8189643 0.75 MEN1 (0.39) KLKB1KDRLCKRXFP1MAPT
SCHEMBL8522744 0.75 KDR (0.41) NPY5RKLKB1PPARGPPARDPPARA
SCHEMBL8184192 0.75 NR1H4 (0.45) PPARGPPARAKDRMAPT
SCHEMBL8184224 0.75 MEN1 (0.44) KLKB1KDRRXFP1MAPTPTGES
Hydrochloric Acid SCHEMBL8187880 0.74 NR1H4 (0.45) PPARGPPARAKDRMAPT
SCHEMBL8176105 0.73 MEN1 (0.44) NPY5RKLKB1KDRLCKRXFP1
SCHEMBL8132691 0.72 TRPV1 (0.51) KDRMAPT
SCHEMBL8119029 0.72 KDR (0.54) KDRMAPT
SCHEMBL7109075 0.72 MAPT (0.50) MAPT
SCHEMBL8130115 0.72 EPHX2 (0.54) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed