SCHEMBL6990285

SCHEMBL6990285

C=CCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH1 P35367 6/20 0.40
DRD2 P14416 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
PTAFR P25105 2/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL6988078 0.86 SIGMAR1 (0.41) ADRA1AHRH1DRD2CHRM2HTR1A
SCHEMBL6995295 0.83 HRH1 (0.43) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6991281 0.83 HRH1 (0.43) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9129563 0.82 HRH1 (0.41) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6989791 0.82 HRH1 (0.40) ADRA1AHRH1DRD2CHRM2HTR1A
SCHEMBL6984394 0.82 HRH1 (0.42) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5060507 0.82 SETD7 (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL11811607 0.80 SETD7 (0.58) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6990031 0.79 HRH1 (0.42) ADRA1AHRH1DRD2CHRM2HTR1A
SCHEMBL6987747 0.78 HRH1 (0.62) ADRA1AADRA1BADRA2AADRA2BADRA2C

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