SCHEMBL9832197

SCHEMBL9832197

CN1CCC(=C2c3ccc(F)cc3CCc3cccnc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.76
HRH1 P35367 8/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD2 P14416 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRK1 P41145 1/20 0.72
HTR2B P41595 1/20 0.72
KCNH2 Q12809 1/20 0.72
FNTA P49354 4/20 0.56
FNTB P49356 4/20 0.56
SLC6A15 Q9H2J7 2/20 0.56

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
SCHEMBL8879488 0.86 PTAFR (1.00) PTAFRHRH1CHRM2HTR2AOPRK1
SCHEMBL14007275 0.85 PTAFR (0.76) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL29626502 0.85 HRH1 (0.82) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL31384618 0.85 HRH1 (0.82) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL4460572 0.85 HRH1 (0.82) PTAFRHRH1CHRM2HTR1ACHRM1
Azatadine SCHEMBL29746602 0.84 HRH1 (1.00) PTAFRHRH1CHRM2HTR1ACHRM1
Azatadine SCHEMBL3721 0.84 HRH1 (1.00) PTAFRHRH1CHRM2HTR1ACHRM1
Azatadine SCHEMBL29363595 0.84 HRH1 (1.00) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL2624623 0.84 HRH1 (0.73) PTAFRHRH1CHRM2HTR1ACHRM1
SCHEMBL14198336 0.83 HRH1 (0.56) PTAFRHRH1CHRM2HTR1ACHRM1

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-0208855-B1 PROCESS FOR PREPARING PIPERIDYLIDENE DIHYDRODIBENZO(A,D)CYCLOHEPTENES AND AZA DERIVATIVES THEREOF, COMPOUNDS OBTAINED BY SUCH PROCESS AND THE USE OF SUCH COMPOUNDS FOR PREPARING USEFUL PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1991-03-06 EP disclosed
US-4873335-A 3-phenethyl-2-benzene-amides or aza-derivatives thereof SCHERING CORPORATION (US) 1989-10-10 US disclosed
US-4731447-A Process for preparing piperidylidene dihydro-dibenzo(a,d)-cycloheptenes or aza-derivatives thereof SCHERING CORPORATION (US) 1988-03-15 US disclosed
US-4659716-A Antihistaminic 8-(halo)-substituted 6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridines SCHERING CORPORATION (US) 1987-04-21 US disclosed
EP-0208855-A1 Process for preparing piperidylidene dihydrodibenzo(a,d)cycloheptenes and aza derivatives thereof, compounds obtained by such process and the use of such compounds for preparing useful pharmaceutical compositions SCHERING CORPORATION (US) 1987-01-21 EP disclosed