SCHEMBL21111085

SCHEMBL21111085

C#CCN1CCN(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
MAOB P27338 16/20 0.34
MAOA P21397 5/20 0.34
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL15870032 0.86 LMNA (0.40) MAOBMAOALMNABCHE
SCHEMBL26831741 0.86 LMNA (0.40) MAOBMAOALMNABCHE
SCHEMBL24247404 0.86 LMNA (0.40) MAOBMAOALMNABCHE
SCHEMBL1769287 0.86
SCHEMBL2475455 0.75
SCHEMBL5010160 0.75
SCHEMBL123292 0.75
SCHEMBL3230975 0.74 ALDH1A1 (0.40) GNAI3GNAO1GNAI1LMNA
SCHEMBL1206778 0.74 MAOB (0.40) MAOBMAOABCHE
SCHEMBL25800786 0.74 ALDH1A1 (0.40) MAOBMAOALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019135010-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-11 WO disclosed
EP-3508492-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-10 EP disclosed
EP-3508492-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-10 EP disclosed