SCHEMBL27723716

SCHEMBL27723716

O=S(=O)(O)C(CCCc1ccccc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
FKBP1A P62942 3/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MCL1 Q07820 1/20 0.42
LTA4H P09960 1/20 0.41
SLC6A3 Q01959 1/20 0.40
HPGD P15428 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
SCHEMBL27364544 0.75 SIGMAR1 (0.50) SIGMAR1NPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL18112744 0.73 LMNA (0.50) SIGMAR1NPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29006725 0.73 SIGMAR1 (0.45) SIGMAR1NPC1TDP1ALDH1A1SMN1; SMN2
SCHEMBL11828025 0.72 SIGMAR1 (0.50) SIGMAR1TSHRLTA4HSLC6A3
SCHEMBL23322456 0.71 GRIK1 (0.47) ALDH1A1SMN1; SMN2SLC6A3HPGD
SCHEMBL10613686 0.71 GRIK1 (0.47) ALDH1A1SMN1; SMN2SLC6A3HPGD
SCHEMBL27891876 0.71 GRIK1 (0.51) ALDH1A1SMN1; SMN2KDM4ESLC6A3
Hydrochloric Acid SCHEMBL8512322 0.71 SIGMAR1 (0.49) SIGMAR1TSHRLTA4HSLC6A3
SCHEMBL6570194 0.71 MC4R (0.50) SIGMAR1TSHRLTA4HSLC6A3
SCHEMBL11167774 0.70 POLB (0.53) SIGMAR1ALDH1A1KDM4ETSHRHPGD

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
CN-101171009-A Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine h3- receptor ligands BIOPROJET SOC CIV (FR) 2008-04-30 CN claimed
CN-101171009-B Use of non-imidazole alkylamines histamine h3- receptor ligands in treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia BIOPROJET SOC CIV 2012-11-07 CN disclosed
CN-101171009-A Treatment of parkinson's disease obstructive sleep apnea, dementia with lewy bodies, vascular dementia with non-imidazole alkylamines histamine h3- receptor ligands BIOPROJET SOC CIV (FR) 2008-04-30 CN disclosed