SCHEMBL9401027

SCHEMBL9401027

O=c1c2cc(F)ccc2sn1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.54
DRD2 P14416 5/20 0.54
HTR2A P28223 5/20 0.54
DRD3 P35462 4/20 0.54
DRD1 P21728 3/20 0.54
DRD5 P21918 2/20 0.54
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9056742 0.85 HTR1A (0.56) HTR1ADRD2HTR2ADRD3ADRA2C
SCHEMBL9401056 0.83 HTR1A (0.53) HTR1ADRD2HTR2ADRD3ADRA2C
SCHEMBL9400862 0.75 TSHR (0.57) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9401001 0.74 KAT2A (0.48) HTR1ASIGMAR1
SCHEMBL10567988 0.74 MPI (0.49)
SCHEMBL9401064 0.73 DRD2 (0.48) HTR1ADRD2HTR2ADRD3DRD5
SCHEMBL9400970 0.73 TSHR (0.55) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9401043 0.73 HTR1A (0.52) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL17948287 0.72 P4HB (0.57) HTR1ADRD2DRD3ADRA2CDRD4
SCHEMBL23302566 0.71 PARP1 (0.54) HTR1ADRD2HTR2ADRD3DRD1

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