SCHEMBL30333324

SCHEMBL30333324

O=C(NCC1(CO)CCC1)c1cc2c(cn1)CNC2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.52
P2RX7 Q99572 1/20 0.37
CNR1 P21554 2/20 0.32
MGAT2 Q10469 1/20 0.32
NAMPT P43490 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
SCN9A Q15858 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
SCHEMBL30333095 0.77 TP53 (0.39)
SCHEMBL30333219 0.73 SCN9A (0.38) CNR2NAMPTSCN9A
SCHEMBL30333721 0.72 RECQL (0.47) SCN9A
SCHEMBL30333012 0.72 SCN9A (0.41) CNR2SCN9A
SCHEMBL21379657 0.71 CNR2 (0.49) CNR2P2RX7NAMPT
SCHEMBL30333440 0.71 CHRM2 (0.41) CNR2CNR1JAK2JAK1JAK3
SCHEMBL28292579 0.69 CNR2 (0.50) CNR2P2RX7CNR1SCN9A
SCHEMBL30333634 0.68 CNR2 (0.36) CNR2JAK2
SCHEMBL30332844 0.68 CYP1A2 (0.47) CNR2SCN9A
SCHEMBL28294439 0.68 CNR2 (0.49) CNR2P2RX7CNR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023037253-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD (IN) 2023-03-16 WO disclosed