SCHEMBL6985690

SCHEMBL6985690

CC(=O)n1ccc2c1CCn1ccnc1C2=C1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.57
PTAFR P25105 10/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
SETD7 Q8WTS6 2/20 0.35
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33

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 SCHEMBL6995236 0.77 HRH1 (0.47) HRH1PTAFRCHRM2HTR1ACHRM1
SCHEMBL6996543 0.76 HRH1 (0.47) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6996632 0.76 HRH1 (0.52) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL5060507 0.75 SETD7 (0.59) HRH1PTAFRCHRM2HTR1ACHRM1
SCHEMBL9167967 0.74 PTAFR (0.64) HRH1PTAFRFNTAFNTBSLC6A15
Water SCHEMBL6994538 0.74 HRH1 (0.62) HRH1HTR2AHTR2CHTR2B
SCHEMBL6996558 0.74 HRH1 (0.47) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6991699 0.74 HRH1 (0.68) HRH1HTR1ADRD2HTR2A
SCHEMBL6991194 0.73 HRH1 (0.43) HRH1CHRM2CHRM1DRD2HTR2A
SCHEMBL6991201 0.73 HRH1 (0.43) HRH1CHRM2CHRM1DRD2HTR2A

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-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed