SCHEMBL9832235

SCHEMBL9832235

CN1CCC(C2(O)c3ccc(F)cc3CCc3cccnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
PTAFR P25105 2/20 0.38
SRD5A1 P18405 1/20 0.35
HTR1F P30939 1/20 0.35
KMT2A Q03164 1/20 0.34
OPRL1 P41146 2/20 0.34
MAP3K14 Q99558 1/20 0.34
CYP11B1 P15538 1/20 0.34
KCNH2 Q12809 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
ABL1 P00519 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
SCHEMBL6198988 0.92 MAPK1 (0.54) MAPK1SMN1; SMN2L3MBTL1PTAFRHTR1F
SCHEMBL32668926 0.87 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1FNTAFNTB
SCHEMBL4457894 0.87 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1FNTAFNTB
SCHEMBL8709456 0.86 MAPK1 (0.72) MAPK1SMN1; SMN2L3MBTL1OPRL1KCNH2
SCHEMBL9592908 0.85 SMN1; SMN2 (0.51) MAPK1SMN1; SMN2L3MBTL1OPRL1KCNH2
SCHEMBL9590406 0.84 MAPK1 (0.50) MAPK1SMN1; SMN2L3MBTL1CYP11B1DRD2
SCHEMBL9591624 0.83 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2L3MBTL1OPRL1FNTA
SCHEMBL10409949 0.77 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1HTR1FKMT2A
SCHEMBL7136245 0.75 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2L3MBTL1SRD5A1HTR1F
SCHEMBL6970399 0.74 MAPK1 (0.59) MAPK1SMN1; SMN2L3MBTL1SRD5A1HTR1A

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 3 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-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