SCHEMBL2299191

SCHEMBL2299191

N#Cc1ccc2c(c1)CC[N]C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
PNMT P11086 6/20 0.47
KDM1A O60341 2/20 0.39
TRPA1 O75762 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 4/20 0.35

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
SCHEMBL2302227 0.93 PNMT (0.51) DRD2DRD3PNMTKDM1ATRPA1
SCHEMBL586096 0.84 PNMT (0.48) DRD2DRD3PNMTKDM1ATRPA1
SCHEMBL29618357 0.74 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP11B1
SCHEMBL29741121 0.74 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP11B1
SCHEMBL8222195 0.74 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP11B1
SCHEMBL3363261 0.74 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP11B1
Hydrochloric Acid SCHEMBL30894888 0.72 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP11B1
Hydrochloric Acid SCHEMBL15205820 0.72 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP11B1
SCHEMBL17350029 0.72 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP11B1
SCHEMBL7647780 0.72 PNMT (0.44) DRD2DRD3PNMTKDM1ATRPA1

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 4 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 claimed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed