SCHEMBL8168522

SCHEMBL8168522

C#CCN(C)CCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.48
MAOB P27338 3/20 0.44
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GGPS1 O95749 1/20 0.40

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
SCHEMBL3506846 1.00 DNM1 (0.48) DNM1MAOBS1PR2S1PR1S1PR3
SCHEMBL4587698 1.00 DNM1 (0.48) DNM1MAOBS1PR2S1PR1S1PR3
SCHEMBL4588691 1.00 DNM1 (0.48) DNM1MAOBS1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL5618261 0.98 DNM1 (0.50) DNM1MAOBS1PR2S1PR1S1PR3
SCHEMBL332622 0.98 DNM1 (0.44) DNM1MAOBS1PR2S1PR1S1PR3
SCHEMBL332286 0.91
Hydrochloric Acid SCHEMBL5617623 0.88 HPGD (0.41) MAOB
Oxalic Acid SCHEMBL5618292 0.86 MAOB (0.47) MAOBS1PR2S1PR1S1PR3S1PR5
SCHEMBL7048097 0.80
SCHEMBL14041818 0.80 MAOB (0.46) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049478-A1 COMPOSITION CONTAINING PROPARGYLAMINE FOR ENHANCING CANCER THERAPY University of Saskatchewan Technologies Inc. (CA) 2000-11-08 EP claimed
WO-1999036076-A1 COMPOSITION CONTAINING PROPARGYLAMINE FOR ENHANCING CANCER THERAPY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-07-22 WO claimed