SCHEMBL9401064

SCHEMBL9401064

O=c1c2ccccc2sn1CCCCN1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD3 P35462 5/20 0.48
DRD5 P21918 1/20 0.48
HTR7 P34969 4/20 0.46
ADRA1A P35348 4/20 0.45
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL9401001 0.85 KAT2A (0.48) HTR1AFAAHMGLL
SCHEMBL9056742 0.80 HTR1A (0.56) DRD2DRD3HTR7ADRA1AHTR1A
SCHEMBL9401019 0.79 DRD2 (0.51) DRD2DRD3DRD5HTR7ADRA1A
SCHEMBL9400953 0.78 DRD2 (0.49) DRD2DRD3HTR7ADRA1AGRIN1
SCHEMBL9401056 0.78 HTR1A (0.53) DRD2DRD3HTR7ADRA1AHTR1A
SCHEMBL9401035 0.77 DRD2 (0.50) DRD2DRD3DRD5HTR7ADRA1A
SCHEMBL9480933 0.75 HTR1A (0.71) DRD2DRD3DRD5HTR7ADRA1A
SCHEMBL9401027 0.73 HTR1A (0.54) DRD2DRD3DRD5HTR1AHTR2A
SCHEMBL9400943 0.72 HTR1A (0.61) DRD2DRD3HTR7ADRA1AHTR1A
Hydrochloric Acid SCHEMBL9376254 0.69 HTR1A (0.65) DRD2DRD3HTR7ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed