SCHEMBL6989903

SCHEMBL6989903

CCOC(=O)c1cccn1CCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.45
CHRM2 P08172 2/20 0.36
HTR2A P28223 2/20 0.36
OPRK1 P41145 2/20 0.36
HTR2B P41595 2/20 0.36
KCNH2 Q12809 2/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CACNA1F O60840 1/20 0.36
NR1I2 O75469 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
Water SCHEMBL9129109 0.88 HRH1 (0.38) HRH1CHRM2HTR2AOPRK1HTR2B
Water SCHEMBL6988465 0.88 HRH1 (0.38) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6986579 0.87 HRH1 (0.52) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6993102 0.81 HRH1 (0.38) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL18102086 0.80 HRH1 (0.67) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6989810 0.80 HRH1 (0.37) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6991281 0.80 HRH1 (0.43) HRH1CHRM2HTR2AOPRK1HTR2B
Fumaric Acid SCHEMBL9239444 0.77 MAPK1 (0.45) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6984394 0.77 HRH1 (0.42) HRH1CHRM2HTR2AOPRK1HTR2B
SCHEMBL6995581 0.77 HRH1 (0.57) HRH1HTR2ADRD2HTR1A

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