SCHEMBL3426445

SCHEMBL3426445

O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.44
DRD3 P35462 7/20 0.40
DRD1 P21728 2/20 0.40
DRD2 P14416 6/20 0.38
DRD5 P21918 3/20 0.38
HTR1A P08908 3/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR2A P28223 2/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 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
SCHEMBL2191705 0.97 HTR7 (0.44) HTR7DRD3DRD1DRD2DRD5
SCHEMBL2197900 0.97 HTR7 (0.46) HTR7DRD3DRD1DRD2DRD5
SCHEMBL2847054 0.95 HTR7 (0.41) HTR7DRD3DRD1DRD2HTR1A
SCHEMBL2194425 0.87 HTR7 (0.43) HTR7DRD3DRD1DRD2DRD5
SCHEMBL2192165 0.87 HTR7 (0.46) HTR7DRD3DRD1DRD2DRD5
SCHEMBL2194603 0.86 DRD2 (0.46) HTR7DRD3DRD1DRD2HTR1A
SCHEMBL2196819 0.86 HTR1A (0.46) HTR7DRD3DRD2HTR1AADRA1D
SCHEMBL2195066 0.86 HTR7 (0.45) HTR7DRD3DRD1DRD2DRD5
SCHEMBL4050945 0.86 HTR7 (0.48) HTR7DRD3DRD1DRD2DRD5
SCHEMBL2196652 0.85 LMNA (0.41) HTR7DRD3DRD1HTR1AADRA1B

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
EP-2219648-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS Cenomed Biosciences, LLC (US) 2010-08-25 EP disclosed
WO-2009062134-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS CENOMED BIOSCIENCES, LLC (US) 2009-05-14 WO disclosed