SCHEMBL6988078

SCHEMBL6988078

CC(C)=CCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
HRH1 P35367 6/20 0.40
PTAFR P25105 3/20 0.40
OPRK1 P41145 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL6987106 0.86 PTAFR (0.43) SIGMAR1HRH1PTAFRKCNH2
SCHEMBL6990285 0.86 ADRA1A (0.41) SIGMAR1HRH1PTAFROPRK1CHRM2
SCHEMBL9129563 0.84 HRH1 (0.41) HRH1PTAFROPRK1CHRM2HTR1A
SCHEMBL6991281 0.82 HRH1 (0.43) HRH1PTAFROPRK1CHRM2HTR1A
SCHEMBL5060507 0.81 SETD7 (0.59) HRH1PTAFROPRK1CHRM2HTR1A
SCHEMBL9167967 0.80 PTAFR (0.64) HRH1PTAFRFNTAFNTB
SCHEMBL6995295 0.80 HRH1 (0.43) HRH1PTAFROPRK1CHRM2HTR1A
Fumaric Acid SCHEMBL9386964 0.79 MAPK1 (0.43) HRH1PTAFROPRK1CHRM2HTR1A
Fumaric Acid SCHEMBL9386969 0.79 MAPK1 (0.43) HRH1PTAFROPRK1CHRM2HTR1A
Water SCHEMBL9131901 0.79 HRH1 (0.38) HRH1PTAFROPRK1CHRM2HTR1A

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