SCHEMBL829043

SCHEMBL829043

CN(C)CCCNC(=O)CCCCN1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.57
PAOX Q6QHF9 1/20 0.50
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TERT O14746 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL862840 0.96 DNM1 (0.55) DNM1PAOXTP53SMN1; SMN2KMT2A
SCHEMBL829473 0.89 DNM1 (0.55) DNM1PAOXTP53SMN1; SMN2HRH3
SCHEMBL828995 0.82 DRD2 (0.51) DNM1SIGMAR1
SCHEMBL10030583 0.81 DNM1 (0.52) DNM1PAOXTP53SMN1; SMN2KMT2A
SCHEMBL23899001 0.81 DNM1 (0.82) DNM1PAOX
SCHEMBL8437935 0.79 FAAH (0.55) DNM1PAOXTP53SMN1; SMN2KMT2A
SCHEMBL7137887 0.79 DNM1 (0.79) DNM1PAOX
SCHEMBL20998566 0.79 USP2 (0.56) PAOXTP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL22564677 0.79 PAOX (0.59) PAOXTP53SMN1; SMN2KMT2A
SCHEMBL16353612 0.78 SMN1; SMN2 (0.54) PAOXTP53SMN1; SMN2KMT2ASIGMAR1

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
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
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