SCHEMBL5729167

SCHEMBL5729167

FC(F)(F)c1nc2ccc3c(c2[nH]1)OC(CNCc1ccccc1)CC3

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.73
DRD4 P21917 13/20 0.73
DRD3 P35462 13/20 0.73
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 0.47

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
SCHEMBL8045568 0.72 NFKB1 (0.68) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL6864588 0.69 DRD2 (0.70) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8312005 0.67 DRD2 (1.00) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8864198 0.67 DRD2 (0.72) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8864160 0.67 DRD2 (0.72) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL5640879 0.67 DRD2 (0.72) DRD2DRD4DRD3NFKB1NFKB2
Bromide SCHEMBL6281511 0.66 DRD2 (0.70) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL7116091 0.65 NFKB1 (0.57) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL7116097 0.65 NFKB1 (0.57) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8844842 0.64 DRD2 (1.00) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421086-B1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a|NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH CORP (US) 2006-08-30 EP claimed
EP-1421086-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY Wyeth (US) 2004-05-26 EP claimed
US-6541502-B1 Treatment of disorders associated with dopamine dysregulation such as schizophrenia WYETH 2003-04-01 US claimed
WO-2003008419-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH (US) 2003-01-30 WO claimed
EP-1421086-B1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a|NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH CORP (US) 2006-08-30 EP disclosed
EP-1421086-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY Wyeth (US) 2004-05-26 EP disclosed
US-6541502-B1 Treatment of disorders associated with dopamine dysregulation such as schizophrenia WYETH 2003-04-01 US disclosed
WO-2003008419-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH (US) 2003-01-30 WO disclosed