SCHEMBL20121230

SCHEMBL20121230

CCN1CN(C)CN(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CTRC Q99895 1/20 0.35

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
SCHEMBL8910378 0.88
SCHEMBL9122897 0.77 KMT2A (0.35)
SCHEMBL9976302 0.77
SCHEMBL16805243 0.75
SCHEMBL11609380 0.73 F2 (0.39) F2ELANECTSGCTRC
SCHEMBL329639 0.71
Bromide SCHEMBL11610229 0.71 F2 (0.38) F2ELANECTSGCTRC
SCHEMBL6365551 0.70
SCHEMBL20121229 0.69 ELANE (0.40) F2ELANECTSGCTRC
SCHEMBL6362526 0.68 F2 (0.35) F2ELANECTSGCTRC

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
US-9962383-B2 Compounds, compositions and methods of agelastatin alkaloids MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-08 US disclosed