SCHEMBL9727380

SCHEMBL9727380

Fc1cccc2c1CC(N1CCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.60
HTR1A P08908 1/20 0.60
HTR1D P28221 2/20 0.48
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
GRIN2B Q13224 4/20 0.43
ABCB1 P08183 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL9727223 0.81 HTR7 (0.71) HTR7HTR1AHTR1DDRD2DRD3
SCHEMBL9727207 0.79 CHRM2 (0.55) DRD2DRD3
SCHEMBL14591377 0.78 HTR1D (0.51) HTR7HTR1AHTR1DGRIN2B
SCHEMBL7935409 0.78 HTR1D (0.51) HTR7HTR1AHTR1DGRIN2BOPRM1
SCHEMBL14591337 0.78 HTR1D (0.51) HTR7HTR1AHTR1DGRIN2B
SCHEMBL7932835 0.77 HTR7 (0.69) HTR7HTR1AHTR1DDRD2
SCHEMBL11072209 0.77 HTR7 (0.69) HTR7HTR1AHTR1DDRD2
SCHEMBL9727205 0.76 GRIN2B (0.68) HTR7HTR1ADRD2GRIN2BOPRM1
Hydrochloric Acid SCHEMBL7926756 0.76 HTR7 (0.67) HTR7HTR1AHTR1DDRD2
SCHEMBL4215401 0.76 CHRM2 (0.55) HTR1DDRD2DRD3

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
US-5164385-A AZETIDINE DERIVATIVES AND HYPOTENSIVE COMPOSITIONS THEREOF JOHN WYETH & BROTHER, LTD. (GB) 1992-11-17 US claimed
US-5164385-A AZETIDINE DERIVATIVES AND HYPOTENSIVE COMPOSITIONS THEREOF JOHN WYETH & BROTHER, LTD. (GB) 1992-11-17 US disclosed