SCHEMBL9208229

SCHEMBL9208229

N#CCCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 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
SCHEMBL11721401 0.86 HSD11B1 (0.34) HSD11B1
SCHEMBL9878315 0.83
SCHEMBL354701 0.75 HSD11B1 (0.39) HSD11B1CYP2C9
SCHEMBL24300140 0.73 ALDH1A1 (0.50) LOXLOXL3LOXL2ALDH1A1TDP1
SCHEMBL24300508 0.73 ALDH1A1 (0.50) LOXLOXL3LOXL2ALDH1A1TDP1
SCHEMBL9214746 0.71 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL11726131 0.70 ALDH1A1 (0.36) LOXLOXL3LOXL2ALDH1A1TDP1
SCHEMBL24300507 0.68 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL7714492 0.67 HSD11B1 (0.41) HSD11B1CYP2C9
SCHEMBL2747594 0.67 HSD11B1 (0.46) HSD11B1CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed
US-5008265-A 2-amino-7-(alicyclomethyl)-3H,5H,-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-04-16 US disclosed