SCHEMBL8630689

SCHEMBL8630689

C1CCC2SCCN2CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
CYP2D6 P10635 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CHRM5 P08912 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL4697539 0.88 HTR6 (0.35) HTR6CYP2D6MEN1KMT2ALMNA
SCHEMBL15779424 0.85 HTR6 (0.32) HTR6CYP2D6MEN1KMT2ALMNA
SCHEMBL29527380 0.83 HTR6 (0.31) HTR6
SCHEMBL31052386 0.82 HTR6 (0.33) HTR6CYP2D6MEN1KMT2ALMNA
SCHEMBL29230353 0.79
SCHEMBL22303970 0.77
SCHEMBL60269 0.75
SCHEMBL12494545 0.73 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL28086839 0.71 ALDH1A1 (0.33) KMT2A
SCHEMBL6543075 0.70

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
JP-10291992-A None JP disclosed
JP-H10291992-A PRODUCTION OF (9R)-OPTICAL ACTIVE SUBSTANCE AND ITS INTERMEDIATE EISAI CO LTD 1998-11-04 JP disclosed