SCHEMBL6993102

SCHEMBL6993102

OCc1cccn1CCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.38
KCNH2 Q12809 4/20 0.37
HTR2A P28223 3/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD2 P14416 2/20 0.37
HTR2C P28335 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRK1 P41145 2/20 0.37
HTR2B P41595 2/20 0.37
SETD7 Q8WTS6 1/20 0.36
PTAFR P25105 2/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
DRD3 P35462 3/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL6991281 0.85 HRH1 (0.43) HRH1KCNH2HTR2ACHRM2HTR1A
Water SCHEMBL9129109 0.85 HRH1 (0.38) HRH1KCNH2HTR2ACHRM2HTR1A
Water SCHEMBL6988465 0.85 HRH1 (0.38) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL6989810 0.83 HRH1 (0.37) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL6984394 0.82 HRH1 (0.42) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL6995295 0.81 HRH1 (0.43) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL6989903 0.81 HRH1 (0.45) HRH1KCNH2HTR2ACHRM2HTR1A
Fumaric Acid SCHEMBL9239444 0.78 MAPK1 (0.45) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL5060507 0.78 SETD7 (0.59) HRH1KCNH2HTR2ACHRM2HTR1A
SCHEMBL6990031 0.78 HRH1 (0.42) HRH1KCNH2HTR2ACHRM2HTR1A

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