SCHEMBL17526013

SCHEMBL17526013

NCC1C=CC(CC(N)=O)=CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 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
SCHEMBL24258419 0.85 GABRR1 (0.30) GABRR1
SCHEMBL16507954 0.77
SCHEMBL17733762 0.77
SCHEMBL19632776 0.77 GABRR1 (0.32) GABRR1
SCHEMBL12464598 0.71 GABRR1 (0.32) GABRR1
SCHEMBL19143417 0.71 GABRR1 (0.32) GABRR1
SCHEMBL20411720 0.70
SCHEMBL21241804 0.69
SCHEMBL12320547 0.67
SCHEMBL17525135 0.67

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-2016020288-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2016-02-11 WO disclosed