SCHEMBL8698596

SCHEMBL8698596

CCOCC(O)N1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.37
CHIA Q9BZP6 2/20 0.37
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8698263 0.95 SMN1; SMN2 (0.35) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL3738375 0.79 PPARG (0.40) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL5695787 0.78 CHIT1 (0.41) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL8697920 0.78 CHIT1 (0.37) CHIT1CHIASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8697805 0.78 PPARG (0.39) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL3738384 0.75 SLC6A2 (0.38) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL8697912 0.75 CHIT1 (0.38) CHIT1CHIASLC6A2SLC6A4NPSR1
SCHEMBL6711048 0.73 CHIT1 (0.36) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL8698603 0.73 CHIT1 (0.37) CHIT1CHIASLC6A2SLC6A4SLC6A3
SCHEMBL8691086 0.73 MEN1 (0.40) SLC6A2SLC6A4SLC6A3

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
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US claimed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed