SCHEMBL6988823

SCHEMBL6988823

CN1CCC(=C2c3ccsc3CCn3ccnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.52
DRD1 P21728 7/20 0.52
DRD3 P35462 7/20 0.52
CHRM2 P08172 6/20 0.52
CHRM1 P11229 6/20 0.52
DRD2 P14416 6/20 0.52
ADRA1A P35348 5/20 0.52
KCNH2 Q12809 5/20 0.52
HTR2A P28223 5/20 0.52
HTR2C P28335 5/20 0.52
ADRA2A P08913 5/20 0.52
HTR2B P41595 4/20 0.52
HTR1A P08908 4/20 0.52
ADRA2B P18089 4/20 0.52
OPRK1 P41145 3/20 0.52
ADRA2C P18825 3/20 0.52
ADRA1D P25100 3/20 0.52
LMNA P02545 3/20 0.52
HTR3A P46098 3/20 0.52
SLC6A2 P23975 3/20 0.52

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
Fumaric Acid SCHEMBL9282740 0.90 MAPK1 (0.60) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL6990659 0.84 PTAFR (0.42) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL6993457 0.83 HRH1 (0.41) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL7139912 0.82 HRH1 (0.44) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL6990175 0.81 HRH1 (0.48) HRH1CHRM2KCNH2HTR2AHTR2B
SCHEMBL6996608 0.80 HRH1 (0.41) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL9236878 0.80 HRH1 (0.54) HRH1DRD1DRD3CHRM2CHRM1
Fumaric Acid SCHEMBL6996855 0.79 MAPK1 (0.48) HRH1DRD1DRD3CHRM2CHRM1
Fumaric Acid SCHEMBL6996858 0.79 MAPK1 (0.48) HRH1DRD1DRD3CHRM2CHRM1
SCHEMBL5060507 0.79 SETD7 (0.59) HRH1DRD1DRD3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP claimed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US claimed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP claimed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO claimed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP claimed
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed