SCHEMBL18633271

SCHEMBL18633271

C=CCCc1nc(CC)c(CCC)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL28286871 0.84 GLA (0.38)
SCHEMBL3698722 0.80 ADORA1 (0.39)
SCHEMBL3693696 0.76 GLA (0.38)
SCHEMBL3701880 0.74 GLA (0.39)
SCHEMBL28285520 0.72 ADORA1 (0.39) TSHR
SCHEMBL30296175 0.72 GLA (0.34)
SCHEMBL3708772 0.69 ALDH1A1 (0.44)
SCHEMBL3710240 0.69 PDK2 (0.36) TSHR
SCHEMBL3697669 0.69 GLA (0.38) TSHR
SCHEMBL28291675 0.68 GLA (0.33)

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-3010922-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-03-15 EP disclosed