SCHEMBL6990036

SCHEMBL6990036

CN1CCC(=C2c3ccccc3CCn3c(CC(=O)O)cnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 0.48
HRH1 P35367 7/20 0.46
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
DRD2 P14416 4/20 0.46
ADRA1A P35348 4/20 0.46
HTR2B P41595 4/20 0.46
KCNH2 Q12809 4/20 0.46
HTR1A P08908 3/20 0.46
OPRK1 P41145 3/20 0.46
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTAFR P25105 2/20 0.43
FNTA P49354 1/20 0.41

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
SCHEMBL27303324 0.89 SETD7 (0.45) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL5060512 0.86 SETD7 (0.52) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL15773559 0.85 SETD7 (0.54) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL15790814 0.84 SETD7 (0.52) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL2116710 0.83 SETD7 (0.51) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL2604746 0.81 SETD7 (0.51) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL6990642 0.79 MAPK1 (0.52) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL6990645 0.79 MAPK1 (0.52) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL27300170 0.78 SETD7 (0.48) SETD7HRH1CHRM2CHRM1HTR2A
SCHEMBL7092907 0.78 SETD7 (0.56) SETD7HRH1CHRM2CHRM1HTR2A

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-1070368-C A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants JANSSEN PHARMACEUTICA NV (BE) 2001-09-05 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