SCHEMBL22352192

SCHEMBL22352192

CCC(C)c1cn(-c2cc(-n3cc(C)nn3)cc(-n3cc(C)nn3)c2)nn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.33
GRIN1 Q05586 10/20 0.33
GRIN2B Q13224 10/20 0.33
BRD4 O60885 1/20 0.31
NOTUM Q6P988 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL22404257 0.83 RXRA (0.33) RXRAGRIN1GRIN2BBRD4NOTUM
SCHEMBL22753520 0.83 RXRA (0.33) RXRAGRIN1GRIN2BBRD4NOTUM
SCHEMBL21955621 0.80 RXRA (0.39) RXRAGRIN1GRIN2BNOTUM
SCHEMBL20282459 0.75 RXRA (0.48) RXRAGRIN1GRIN2B
SCHEMBL20282458 0.75 RXRA (0.48) RXRAGRIN1GRIN2B
SCHEMBL25667120 0.74 RXRA (0.45) RXRAGRIN1GRIN2BNOTUMLRRK2
SCHEMBL23008630 0.74 CYP1B1 (0.37) RXRAGRIN1GRIN2BNOTUM
SCHEMBL24754348 0.74 RXRA (0.55) RXRAGRIN1GRIN2B
SCHEMBL25847222 0.74 RXRA (0.42) RXRAGRIN1GRIN2B
SCHEMBL26178710 0.74 HMGB1 (0.40) NOTUM

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed