SCHEMBL10429375

SCHEMBL10429375

FC(F)(F)c1cccc(C2CCN(c3ccc(Br)nn3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
HTR2C P28335 2/20 0.44
GRM2 Q14416 3/20 0.41
CNR2 P34972 1/20 0.41
PRKDC P78527 1/20 0.41
PRCP P42785 1/20 0.40
DRD4 P21917 1/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
BTK Q06187 1/20 0.39
CDK8 P49336 1/20 0.38
MCHR1 Q99705 1/20 0.38
NOTUM Q6P988 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
Hydrochloric Acid SCHEMBL9310856 0.92 DRD2 (0.53) DRD2HTR2CGRM2CNR2DRD4
SCHEMBL10429405 0.87 DRD2 (0.50) DRD2HTR2CGRM2CNR2PRKDC
SCHEMBL10429410 0.86 DRD2 (0.46) DRD2HTR2CGRM2CNR2PRKDC
SCHEMBL10429379 0.86 DRD2 (0.46) DRD2HTR2CGRM2CNR2PRKDC
SCHEMBL9312261 0.79 DRD2 (0.51) DRD2HTR2CGRM2CNR2DRD4
SCHEMBL9310797 0.75 MAPT (0.57) HTR2CCNR2
SCHEMBL9230752 0.72 DRD2 (0.64) DRD2HTR2CGRM2DRD4CHRM2
SCHEMBL2363188 0.71 AVPR1A (0.55) DRD2HTR2CGRM2DRD4HTR1A
SCHEMBL2514320 0.71 DRD2 (0.50) DRD2HTR2CGRM2DRD4
SCHEMBL31060813 0.70 DRD2 (0.87) DRD2PRCPDRD4HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US claimed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP claimed
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US disclosed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed