SCHEMBL21151797

SCHEMBL21151797

COc1ccc(C2(N)CCCCCCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54

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
SCHEMBL20901036 1.00 SLC6A4 (0.59) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL20901037 1.00 SLC6A4 (0.59) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL14168918 1.00 SLC6A4 (0.59) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17315608 0.96 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL11972187 0.94 SLC6A4 (0.51) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL18742725 0.92 SLC6A4 (0.50) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL895814 0.90 MAOB (0.52) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL18742650 0.88 MAOB (0.50) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL17315712 0.84 MAOB (0.55)
SCHEMBL23647427 0.81 MAOB (0.44) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B

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-3099739-B1 PARAMAGNETIC SUPPORTS FOR USE AS ASSAY REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2019-07-10 EP disclosed