SCHEMBL8419983

SCHEMBL8419983

CCCCCC[N+](N)(N)CCCCCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.61
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SLC22A2 O15244 1/20 0.56
DNM1 Q05193 9/20 0.55
HTT P42858 1/20 0.55
LSS P48449 1/20 0.50

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
SCHEMBL7929403 0.94 SLC22A1 (0.55) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7777104 0.85 FAAH (0.52) SLC22A1TP53CYP3A4ALOX15HSD17B10
SCHEMBL10863762 0.81 SLC22A1 (0.61) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11128711 0.79 CYP2D6 (0.61) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Bromide SCHEMBL29008508 0.77 DNM1 (0.62) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL29019046 0.77 DNM1 (0.62) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5298693 0.76 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5292532 0.76 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5303491 0.76 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL125272 0.76 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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-0684271-B1 Process for the production of polyamides on the basis of alpha,omega-dinitrile LURGI ZIMMER AKTIENGESELLSCHAF (DE) 1999-09-22 EP disclosed
EP-0684271-A2 Process for the production of polyamides on the basis of alpha,w-dinitrile Zimmer Aktiengesellschaft (DE) 1995-11-29 EP disclosed