SCHEMBL10598482

SCHEMBL10598482

CCCC[N+](CC)(CCCC)CCCC.[BH4-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.69
DNM1 Q05193 5/20 0.63
SLC22A2 O15244 1/20 0.59
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 1/20 0.44
KCNA1 Q09470 1/20 0.44
KDM4E B2RXH2 1/20 0.41
PMP22 Q01453 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL346989 0.97 SLC22A1 (0.73) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL7553616 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Hydrochloric Acid SCHEMBL5084823 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Iodide SCHEMBL4333792 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL10598485 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Water SCHEMBL1332993 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
Bromide SCHEMBL3680180 0.93 SLC22A1 (0.69) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL5354508 0.90 SLC22A1 (0.65) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL11806867 0.90 DNM1 (0.78) SLC22A1DNM1SLC22A2TSHRALDH1A1
SCHEMBL16649092 0.90 DNM1 (0.78) SLC22A1DNM1SLC22A2TSHRALDH1A1

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
EP-0179031-B1 METHOD FOR THE SYNTHESIS OF PHARMACOLOGICALLY ACTIVE ARYLOXYPROPANOL AMINE COMPOUNDS Aktiebolaget Hässle (SE) 1989-01-18 EP disclosed
US-4777293-A Method for the synthesis of pharmacologically active compounds and intermediates for such synthesis AKTIEBOLAGET HASSLE (SE) 1988-10-11 US disclosed
EP-0179031-A2 Method for the synthesis of pharmacologically active aryloxypropanol amine compounds Aktiebolaget Hässle (SE) 1986-04-23 EP disclosed