SCHEMBL7549210

SCHEMBL7549210

B.CCCC[N+](CCCC)(CCCC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
SLC22A1 O15245 3/20 0.38
DNM1 Q05193 4/20 0.37
HTT P42858 1/20 0.33
SLC22A2 O15244 1/20 0.32

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
SCHEMBL7548892 0.98 CYP1A2 (0.41) CYP1A2SLC22A1DNM1SLC22A2
SCHEMBL6061498 0.95 CYP1A2 (0.44) CYP1A2SLC22A1DNM1SLC22A2
Water SCHEMBL7546065 0.95 CYP1A2 (0.39) CYP1A2SLC22A1DNM1SLC22A2
SCHEMBL7549208 0.95 CYP1A2 (0.39) CYP1A2SLC22A1DNM1SLC22A2
Fluoride Ion SCHEMBL7553479 0.95 CYP1A2 (0.39) CYP1A2SLC22A1DNM1SLC22A2
Water SCHEMBL8942491 0.93 CYP1A2 (0.43) CYP1A2SLC22A1DNM1SLC22A2
Hydrochloric Acid SCHEMBL7780858 0.93 CYP1A2 (0.43) CYP1A2SLC22A1DNM1SLC22A2
Bromide SCHEMBL7781769 0.93 CYP1A2 (0.43) CYP1A2SLC22A1DNM1SLC22A2
Fluoride Ion SCHEMBL7550563 0.93 CYP1A2 (0.43) CYP1A2SLC22A1DNM1SLC22A2
SCHEMBL10732675 0.87 SLC22A1 (0.43) CYP1A2SLC22A1DNM1HTTSLC22A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP claimed
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed