SCHEMBL6991316

SCHEMBL6991316

Cc1c(Br)nc2n1CCc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.56
ADRA1A P35348 6/20 0.49
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
KCNH2 Q12809 5/20 0.49
HTR2A P28223 5/20 0.49
HTR2B P41595 5/20 0.49
ADRA2A P08913 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2C P28335 4/20 0.49
HRH1 P35367 4/20 0.49
DRD1 P21728 4/20 0.49
DRD3 P35462 4/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
ADRA1D P25100 4/20 0.49
DRD2 P14416 3/20 0.49
OPRK1 P41145 3/20 0.49

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
SCHEMBL6991408 0.81 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL7136434 0.77 SETD7 (0.60) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL15773561 0.76 SETD7 (0.51) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL7092907 0.74 SETD7 (0.56) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL17589771 0.74 SETD7 (0.49) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL7817056 0.74 SETD7 (1.00) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL9286398 0.73 SETD7 (0.55) SETD7ADRA1ACHRM2CHRM1KCNH2
SCHEMBL15773559 0.72 SETD7 (0.54) SETD7ADRA1ACHRM2CHRM1KCNH2
Water SCHEMBL7140605 0.72 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2
Alcaftadine SCHEMBL1602418 0.72 SETD7 (0.52) SETD7ADRA1ACHRM2CHRM1KCNH2

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