SCHEMBL9829635

SCHEMBL9829635

O=C(O)c1ncccc1CCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.51
NR3C2 P08235 1/20 0.49
KDM4C Q9H3R0 2/20 0.45
KDM5A P29375 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
NR4A2 P43354 2/20 0.44
KMT2A Q03164 2/20 0.43
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41

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
SCHEMBL9830326 0.88 NR3C2 (0.54) KDM4ENR3C2BACE1TAAR1DAO
SCHEMBL10749832 0.84 KDM4E (0.62) KDM4EMAPTCYP1A2L3MBTL1ALDH1A1
SCHEMBL4452291 0.83 BACE1 (0.62) KDM4EMAPTCYP1A2KDM4CNR4A2
SCHEMBL13962897 0.83 KDM4E (0.51) KDM4EMAPTCYP1A2NR3C2KDM5B
Hydrochloric Acid SCHEMBL4603331 0.82 BACE1 (0.60) KDM4EMAPTCYP1A2KDM4CNR4A2
SCHEMBL10571227 0.81 ANO1 (0.51) KDM4EMAPTCYP1A2NR3C2KMT2A
SCHEMBL4039152 0.78 NR3C2 (0.49) KDM4EMAPTNR3C2KDM4CKDM5A
SCHEMBL8884069 0.77 NR4A2 (0.56) KDM5AKDM5BNR4A2KMT2AL3MBTL1
SCHEMBL14358101 0.74 KDM4E (0.66) KDM4EMAPTCYP1A2KMT2AL3MBTL1
SCHEMBL9832962 0.73 HSD11B1 (0.45) KDM4ECYP1A2NR3C2KMT2AHCAR2

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