SCHEMBL6991408

SCHEMBL6991408

Cc1c(CO)nc2n1CCc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.52
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
ADRA1A P35348 5/20 0.46
KCNH2 Q12809 5/20 0.46
HRH1 P35367 5/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
DRD2 P14416 3/20 0.46
OPRK1 P41145 3/20 0.46
ADRA2A P08913 4/20 0.43
DRD1 P21728 4/20 0.43
DRD3 P35462 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43

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
SCHEMBL15773561 0.89 SETD7 (0.51) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL17589771 0.85 SETD7 (0.49) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL6991316 0.81 SETD7 (0.56) SETD7CHRM2CHRM1ADRA1AKCNH2
Water SCHEMBL7140605 0.81 SETD7 (0.52) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL5060512 0.79 SETD7 (0.52) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL7136434 0.77 SETD7 (0.60) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL9710869 0.77 PTAFR (0.44) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL6988256 0.76 HRH1 (0.57) CHRM2KCNH2HRH1HTR2AHTR2B
SCHEMBL9286398 0.73 SETD7 (0.55) SETD7CHRM2CHRM1ADRA1AKCNH2
SCHEMBL15773559 0.72 SETD7 (0.54) SETD7CHRM2CHRM1ADRA1AKCNH2

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 6 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
CN-1142360-A A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants YUAN ANLING (CN) 1997-02-12 CN 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