SCHEMBL862840

SCHEMBL862840

CN(C)CCCNC(=O)CCCN1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.55
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PAOX Q6QHF9 1/20 0.44
KMT2A Q03164 3/20 0.43
TERT O14746 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL829043 0.96 DNM1 (0.57) DNM1TP53SMN1; SMN2PAOXKMT2A
SCHEMBL829473 0.85 DNM1 (0.55) DNM1TP53SMN1; SMN2PAOXHRH3
SCHEMBL20998566 0.80 USP2 (0.56) TP53SMN1; SMN2PAOXKMT2AALDH1A1
SCHEMBL10030583 0.80 DNM1 (0.52) DNM1TP53SMN1; SMN2PAOXKMT2A
SCHEMBL24891070 0.79 TSHR (0.63) TP53SMN1; SMN2PAOXKMT2AMEN1
SCHEMBL16353612 0.79 SMN1; SMN2 (0.54) TP53SMN1; SMN2PAOXKMT2ASIGMAR1
SCHEMBL23899001 0.79 DNM1 (0.82) DNM1PAOX
SCHEMBL8773743 0.79 DNM1 (0.76) DNM1PAOX
SCHEMBL828995 0.79 DRD2 (0.51) DNM1SIGMAR1
SCHEMBL24412969 0.78 TP53 (0.51) TP53SMN1; SMN2PAOXSIGMAR1ALDH1A1

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-8143256-B2 5-(4-{4-[A7-(3,5-diamino-6-chloropyrazine-2 carbonyl)guanadio]butyl}-piperazin-1-yl)pentanoic acid (3-dimethylaminopropyl) amide; hydration of mucosal surfaces; Chronic bronchitis; cystic fibrosis; more potent; absorbed slower; target kidney in treating cardiovascular disease; diuretics PARION SCIENCES, INC. (US) 2012-03-27 US disclosed