SCHEMBL21154012

SCHEMBL21154012

c1ccc(N2CC3OC[C@@H]32)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.38
▸ GRIN2B Q13224 2/20 0.36
▸ USP30 Q70CQ3 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ GRM1 Q13255 2/20 0.34

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
SCHEMBL22425261 0.76 USP30 (0.36) USP30SMN1; SMN2KDM4E
SCHEMBL22425353 0.76 CCR1 (0.39) GRIN2BUSP30SMN1; SMN2GRIN2DGRIN3B
SCHEMBL24195083 0.75 GRIN2D (0.37) GRIN2BUSP30SMN1; SMN2GRIN2DGRIN3B
SCHEMBL24195082 0.75 GRIN2D (0.37) GRIN2BUSP30SMN1; SMN2GRIN2DGRIN3B
SCHEMBL21154527 0.74 CNR2 (0.35) USP30SMN1; SMN2
SCHEMBL21154522 0.74 CNR2 (0.35) USP30SMN1; SMN2
SCHEMBL21588488 0.74 GRIN2D (0.36) GRIN2BUSP30GRIN2DGRIN3BGRIN1
SCHEMBL21154010 0.74 CNR2 (0.35) USP30SMN1; SMN2
SCHEMBL22000882 0.74 CNR2 (0.35) USP30SMN1; SMN2
SCHEMBL21999969 0.74 CNR2 (0.35) USP30SMN1; SMN2

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-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 — — WO disclosed
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