SCHEMBL31403692

SCHEMBL31403692

COC1CCCc2ncc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 4/20 0.34
CCR2 P41597 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KAT2B Q92831 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL31403689 1.00 OPRK1 (0.37) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL31403551 0.76 CYP11B1 (0.35) OPRK1CYP11B1CYP11B2
SCHEMBL16082789 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1HTTMAPTMEN1
SCHEMBL31378647 0.71 CYP1A2 (0.37) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL31378940 0.70 MAPT (0.36) OPRK1MAPK1MAPTCCR2KMT2A
SCHEMBL7013563 0.69 ALDH1A1 (0.40) ALDH1A1MAPK1HTTMAPT
SCHEMBL3367001 0.69 MAPT (0.44) OPRK1ALDH1A1MAPK1HTTMAPT
SCHEMBL15309224 0.68 GRM5 (0.49) CYP11B1CYP11B2
SCHEMBL15309495 0.68 GRM5 (0.49) CYP11B1CYP11B2
SCHEMBL13341660 0.68 ALDH1A1 (0.43) ALDH1A1MAPK1HTTMAPTMEN1

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-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed