SCHEMBL2299321

SCHEMBL2299321

Fc1ccc(COC2CC[N]CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.50
SIGMAR1 Q99720 15/20 0.50
TMEM97 Q5BJF2 6/20 0.50
DRD3 P35462 4/20 0.50
DRD5 P21918 1/20 0.46
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3128435 0.84 SLC6A4 (0.45) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL3122265 0.84 KIF11 (0.39) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL3118087 0.83 SIGMAR1 (0.36) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL3121802 0.82 NAAA (0.42) DRD4SIGMAR1TMEM97
SCHEMBL2302468 0.81 SLC6A2 (0.61) DRD4SIGMAR1TMEM97DRD3DRD5
SCHEMBL3126964 0.79 CARM1 (0.55) DRD4SIGMAR1TMEM97SLC6A2SLC6A4
SCHEMBL3121141 0.78 CARM1 (0.51) DRD4SIGMAR1DRD3DRD5SLC6A2
SCHEMBL3116258 0.78 IDO1 (0.42) DRD4SIGMAR1TMEM97DRD3SLC6A2
SCHEMBL9434989 0.77 CA1 (0.41) DRD4DRD3DRD5SLC6A2SLC6A4
SCHEMBL3126431 0.77 HTR1A (0.37) DRD4SIGMAR1TMEM97DRD3SLC6A4

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