SCHEMBL3247113

SCHEMBL3247113

CC(F)c1ccc2c(c1)CCNC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 4/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
PNMT P11086 4/20 0.46
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 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
SCHEMBL17585071 0.89 ASIC3 (0.55) ASIC3DRD2DRD3PNMTCD44
SCHEMBL4565700 0.86 ASIC3 (0.55) ASIC3DRD2DRD3PNMTCD44
Hydrochloric Acid SCHEMBL1265678 0.84 ASIC3 (0.53) ASIC3DRD2DRD3PNMTCD44
SCHEMBL18717400 0.83 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3243076 0.83 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3055999 0.83 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL26141680 0.82 PNMT (0.55) DRD2DRD3PNMTCD44MAOB
Hydrochloric Acid SCHEMBL23706229 0.81 PNMT (0.53) DRD2DRD3PNMTCD44MAOB
Hydrochloric Acid SCHEMBL30041859 0.81 PNMT (0.53) DRD2DRD3PNMTCD44MAOB
SCHEMBL20803992 0.80 ASIC3 (0.49) ASIC3DRD2DRD3PNMTCD44

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed