SCHEMBL7549267

SCHEMBL7549267

B.CC[N+](CC)(CC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TAAR1 Q96RJ0 3/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37

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
Water SCHEMBL7548851 0.95 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11734473 0.88 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9752207 0.85 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Acetic Acid SCHEMBL7554121 0.85 SMN1; SMN2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL124830 0.83 APOBEC3A (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL5088443 0.80 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL2708617 0.80 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Bromide SCHEMBL2708615 0.80 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9752206 0.80 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Water SCHEMBL188046 0.80 APOBEC3A (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-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