SCHEMBL6987948

SCHEMBL6987948

CC(C)N1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.47
CHRM2 P08172 3/20 0.44
HTR1A P08908 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
ADRA1A P35348 3/20 0.44
HTR2B P41595 3/20 0.44
KCNH2 Q12809 3/20 0.44
OPRK1 P41145 2/20 0.44
SETD7 Q8WTS6 3/20 0.43
PTAFR P25105 2/20 0.40
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
ADRA1D P25100 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL5060507 0.87 SETD7 (0.59) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6987747 0.81 HRH1 (0.62) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL9167967 0.81 PTAFR (0.64) HRH1PTAFRFNTAFNTB
SCHEMBL6993236 0.80 HRH1 (0.71) HRH1
SCHEMBL6991281 0.79 HRH1 (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6995295 0.79 HRH1 (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL9129563 0.78 HRH1 (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6984394 0.78 HRH1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6989791 0.78 HRH1 (0.40) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6990285 0.78 ADRA1A (0.41) HRH1CHRM2HTR1ACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed