SCHEMBL18656563

SCHEMBL18656563

C[C@H]1COC2(CCN(I)CC2)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.30

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
SCHEMBL19135637 0.82
SCHEMBL22845685 0.82
SCHEMBL19129202 0.77 CYP2D6 (0.33)
SCHEMBL3308565 0.76 PABPC1 (0.42) GAA
SCHEMBL14272690 0.76
SCHEMBL10265045 0.76
SCHEMBL12944468 0.74 PABPC1 (0.44) GAA
SCHEMBL3305308 0.74 PABPC1 (0.44) GAA
SCHEMBL12944477 0.74 PABPC1 (0.44) GAA
SCHEMBL24638971 0.73 CYP2D6 (0.38) GAA

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-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 WO disclosed