SCHEMBL31468360

SCHEMBL31468360

CC(C#N)C(=O)c1cccc2c1OCC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.57
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPK14 Q16539 1/20 0.39
SSTR4 P31391 2/20 0.35
MGLL Q99685 1/20 0.35
RORC P51449 1/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GPR6 P46095 1/20 0.33
PKLR P30613 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
SCHEMBL25485607 0.84 PARP1 (0.66) PARP1HCRTR1HCRTR2MAPK14SSTR4
SCHEMBL3366023 0.78 PARP1 (0.66) PARP1HCRTR1HCRTR2MAPK14SSTR4
SCHEMBL3360298 0.76 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14MGLL
SCHEMBL13425738 0.75 PARP1 (0.62) PARP1HCRTR1HCRTR2MAPK14SSTR4
SCHEMBL21316384 0.75 PARP1 (0.54) PARP1HCRTR1HCRTR2MAPK14SSTR4
SCHEMBL1502069 0.74 PARP1 (1.00) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL729580 0.74 PARP1 (0.74) PARP1HCRTR1HCRTR2MAPK14MGLL
SCHEMBL1021074 0.72 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14SSTR4
Hydrochloric Acid SCHEMBL7265489 0.72 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14MGLL
SCHEMBL1065556 0.72 PARP1 (0.66) PARP1HCRTR1HCRTR2

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-2025064210-A1 INHIBITORS OF BILIVERDIN REDUCTASE B (BLVRB) BLOOD CELL TECHNOLOGIES, LLC (US) 2025-03-27 WO disclosed