SCHEMBL9590801

SCHEMBL9590801

CSc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.69
CHRM2 P08172 1/20 0.69
HTR1A P08908 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD2 P14416 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRK1 P41145 1/20 0.69
HTR2B P41595 1/20 0.69
KCNH2 Q12809 1/20 0.69
PTAFR P25105 8/20 0.55
FNTA P49354 4/20 0.54
FNTB P49356 4/20 0.54
SLC6A15 Q9H2J7 3/20 0.54

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
SCHEMBL9832197 0.83 PTAFR (0.76) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL31384618 0.83 HRH1 (0.82) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL14007275 0.83 PTAFR (0.76) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4460572 0.83 HRH1 (0.82) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL29626502 0.83 HRH1 (0.82) HRH1CHRM2HTR1ACHRM1DRD2
Azatadine SCHEMBL3721 0.82 HRH1 (1.00) HRH1CHRM2HTR1ACHRM1DRD2
Azatadine SCHEMBL29746602 0.82 HRH1 (1.00) HRH1CHRM2HTR1ACHRM1DRD2
Azatadine SCHEMBL29363595 0.82 HRH1 (1.00) HRH1CHRM2HTR1ACHRM1DRD2
Azatadine SCHEMBL6061443 0.81 HRH1 (0.97) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL9590877 0.80 HRH1 (0.67) HRH1CHRM2HTR1ACHRM1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5231101-A Antihistamines SS PHARMACEUTICAL CO., LTD. (JP) 1993-07-27 US disclosed
EP-0495484-A1 Novel benzo [5,6] cyclohepta [1,2-b] pyridine derivatives and antiallergic agents comprising same SS PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed