SCHEMBL6989791

SCHEMBL6989791

N#CCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 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
PTAFR P25105 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
DRD3 P35462 2/20 0.32

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
SCHEMBL6991398 0.85 PTAFR (0.38) HRH1PTAFR
SCHEMBL6995295 0.83 HRH1 (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6991281 0.83 HRH1 (0.43) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL7136916 0.82 SETD7 (0.38) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6984394 0.82 HRH1 (0.42) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6990285 0.82 ADRA1A (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL5060507 0.82 SETD7 (0.59) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL9129563 0.80 HRH1 (0.41) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6990502 0.80 HRH1 (0.39) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6990031 0.79 HRH1 (0.42) 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