SCHEMBL30023116

SCHEMBL30023116

O=C(O)N1CCc2c([nH]c(=O)c3ccccc23)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.66
TRPV1 Q8NER1 3/20 0.53
FAAH O00519 2/20 0.53
GPX4 P36969 1/20 0.52
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
MTHFD2 P13995 1/20 0.48

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
SCHEMBL5367984 1.00 PARP1 (0.66) PARP1TRPV1FAAHGPX4CDK4
SCHEMBL8359246 0.84 PARP1 (0.68) PARP1TRPV1GPX4
SCHEMBL969392 0.84 TRPV1 (0.72) TRPV1FAAHGPX4CDK4CCND1
SCHEMBL8360520 0.84 PARP1 (0.71) PARP1TRPV1FAAHGPX4CDK4
SCHEMBL8360521 0.83 PARP1 (0.73) PARP1TRPV1GPX4
SCHEMBL8360509 0.82 PARP1 (0.69) PARP1TRPV1GPX4
SCHEMBL8360524 0.82 PARP1 (0.58) PARP1TRPV1FAAHGPX4CDK4
SCHEMBL2270578 0.81 PARP1 (0.57) PARP1TRPV1FAAHGPX4CDK4
SCHEMBL8363099 0.81 PARP1 (0.67) PARP1TRPV1FAAHGPX4CDK4
SCHEMBL8360518 0.80 PARP1 (0.56) PARP1TRPV1FAAHGPX4CDK4

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
EP-4076648-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-10-26 EP disclosed