SCHEMBL6988796

SCHEMBL6988796

Cc1cnc2n1CCc1ccccc1C2=C1CCN(CCN)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 7/20 0.44
HRH1 P35367 5/20 0.42
CHRM2 P08172 4/20 0.42
HTR1A P08908 4/20 0.42
CHRM1 P11229 4/20 0.42
ADRA1A P35348 4/20 0.42
KCNH2 Q12809 4/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
OPRK1 P41145 2/20 0.42
ADRA2A P08913 3/20 0.37
DRD1 P21728 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A3 Q01959 3/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37

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
SCHEMBL6990242 0.83 HRH1 (0.42) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL6808721 0.79 SETD7 (0.65) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL7141483 0.78 SETD7 (0.42) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL15773559 0.75 SETD7 (0.54) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL7092907 0.75 SETD7 (0.56) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL5060512 0.74 SETD7 (0.52) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL15790814 0.74 SETD7 (0.52) SETD7HRH1CHRM2HTR1ACHRM1
SCHEMBL9132213 0.73 SETD7 (0.43) SETD7HRH1CHRM2HTR1ACHRM1
Alcaftadine SCHEMBL1602418 0.72 SETD7 (0.52) SETD7HRH1CHRM2HTR1ACHRM1
Alcaftadine SCHEMBL29378093 0.72 SETD7 (0.52) SETD7HRH1CHRM2HTR1ACHRM1

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